ethyl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-methyl-2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate

C84H70Cl2N18O20S8 — CID 159174508

IUPACethyl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-methyl-2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate
SMILESCC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1ccc2nsnc2c1.CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1ccnc2cc(Cl)ccc12.CCOC(=O)NC(=O)c1cc(C)sc1NC(=O)c1nc2ncccc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc2nsnc2c1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H16ClN3O4S.C18H14ClN3O4S.2C16H14N4O4S2.C15H12N4O4S2/c1-10(2)27-19(26)23-17(25)14-6-8-28-18(14)22-16(24)13-5-7-21-15-9-11(20)3-4-12(13)15;1-2-26-18(25)22-16(24)13-6-8-27-17(13)21-15(23)12-5-7-20-14-9-10(19)3-4-11(12)14;1-8(2)24-16(23)18-14(22)10-5-6-25-15(10)17-13(21)9-3-4-11-12(7-9)20-26-19-11;1-3-24-16(23)20-12(21)9-7-8(2)25-14(9)19-13(22)15-18-11-10(26-15)5-4-6-17-11;1-2-23-15(22)17-13(21)9-5-6-24-14(9)16-12(20)8-3-4-10-11(7-8)19-25-18-10/h3-10H,1-2H3,(H,22,24)(H,23,25,26);3-9H,2H2,1H3,(H,21,23)(H,22,24,25);3-8H,1-2H3,(H,17,21)(H,18,22,23);4-7H,3H2,1-2H3,(H,19,22)(H,20,21,23);3-7H,2H2,1H3,(H,16,20)(H,17,21,22)
InChIKeyKMCKTJCNBAEHEW-UHFFFAOYSA-N
MW1979.03 g/mol
LogP17.94
Rot. Bonds20

About ethyl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-methyl-2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-methyl-2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 159174508) has the molecular formula C84H70Cl2N18O20S8 and a molecular weight of 1979.03 g/mol. Its IUPAC name is ethyl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-methyl-2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-methyl-2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate
PubChem CID159174508
Molecular FormulaC84H70Cl2N18O20S8
Molecular Weight1979.03 g/mol
Exact Mass1976.22
IUPAC Nameethyl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-methyl-2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate
SMILESCC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1ccc2nsnc2c1.CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1ccnc2cc(Cl)ccc12.CCOC(=O)NC(=O)c1cc(C)sc1NC(=O)c1nc2ncccc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc2nsnc2c1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H16ClN3O4S.C18H14ClN3O4S.2C16H14N4O4S2.C15H12N4O4S2/c1-10(2)27-19(26)23-17(25)14-6-8-28-18(14)22-16(24)13-5-7-21-15-9-11(20)3-4-12(13)15;1-2-26-18(25)22-16(24)13-6-8-27-17(13)21-15(23)12-5-7-20-14-9-10(19)3-4-11(12)14;1-8(2)24-16(23)18-14(22)10-5-6-25-15(10)17-13(21)9-3-4-11-12(7-9)20-26-19-11;1-3-24-16(23)20-12(21)9-7-8(2)25-14(9)19-13(22)15-18-11-10(26-15)5-4-6-17-11;1-2-23-15(22)17-13(21)9-5-6-24-14(9)16-12(20)8-3-4-10-11(7-8)19-25-18-10/h3-10H,1-2H3,(H,22,24)(H,23,25,26);3-9H,2H2,1H3,(H,21,23)(H,22,24,25);3-8H,1-2H3,(H,17,21)(H,18,22,23);4-7H,3H2,1-2H3,(H,19,22)(H,20,21,23);3-7H,2H2,1H3,(H,16,20)(H,17,21,22)
InChIKeyKMCKTJCNBAEHEW-UHFFFAOYSA-N
XLogP17.94
TPSA525.62 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds20
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001979.03
LogP ≤ 517.94
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-methyl-2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate with MolForge

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Related Compounds

ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[(2,6-dimethyl-3H-imidazo[1,5-a]pyridine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-fluoro-2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(thieno[3,2-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 162281809

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-methyl-2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-methyl-2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate (CID 159174508) is ethyl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-methyl-2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-methyl-2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-methyl-2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate is CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1ccc2nsnc2c1.CC(C)OC(=O)NC(=O)c1ccsc1NC(=O)c1ccnc2cc(Cl)ccc12.CCOC(=O)NC(=O)c1cc(C)sc1NC(=O)c1nc2ncccc2s1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc2nsnc2c1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of ethyl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-methyl-2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The InChIKey is KMCKTJCNBAEHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4S.C18H14ClN3O4S.2C16H14N4O4S2.C15H12N4O4S2/c1-10(2)27-19(26)23-17(25)14-6-8-28-18(14)22-16(24)13-5-7-21-15-9-11(20)3-4-12(13)15;1-2-26-18(25)22-16(24)13-6-8-27-17(13)21-15(23)12-5-7-20-14-9-10(19)3-4-11(12)14;1-8(2)24-16(23)18-14(22)10-5-6-25-15(10)17-13(21)9-3-4-11-12(7-9)20-26-19-11;1-3-24-16(23)20-12(21)9-7-8(2)25-14(9)19-13(22)15-18-11-10(26-15)5-4-6-17-11;1-2-23-15(22)17-13(21)9-5-6-24-14(9)16-12(20)8-3-4-10-11(7-8)19-25-18-10/h3-10H,1-2H3,(H,22,24)(H,23,25,26);3-9H,2H2,1H3,(H,21,23)(H,22,24,25);3-8H,1-2H3,(H,17,21)(H,18,22,23);4-7H,3H2,1-2H3,(H,19,22)(H,20,21,23);3-7H,2H2,1H3,(H,16,20)(H,17,21,22).
What are the key properties of ethyl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-methyl-2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate?
ethyl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-methyl-2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 1979.03 g/mol, XLogP of 17.94, 20 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[5-methyl-2-([1,3]thiazolo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-(2,1,3-benzothiadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-[(7-chloroquinoline-4-carbonyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 159174508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).