N-[4-[N'-[3-(benzenesulfonyl)thiophen-2-yl]carbamimidoyl]-2-pyridinyl]acetamide;ethyl N-[2-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-thiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate

C62H56F2N14O15S6 — CID 162278383

IUPACN-[4-[N'-[3-(benzenesulfonyl)thiophen-2-yl]carbamimidoyl]-2-pyridinyl]acetamide;ethyl N-[2-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-thiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCC(=O)Nc1cc(C(N)=Nc2sccc2S(=O)(=O)c2ccccc2)ccn1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C(C)(F)F)nc1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2[nH]ccc2c1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cncs1
InChIInChI=1S/C18H16N4O3S2.C16H15F2N3O4S.C16H14N4O4S.C12H11N3O4S2/c1-12(23)21-16-11-13(7-9-20-16)17(19)22-18-15(8-10-26-18)27(24,25)14-5-3-2-4-6-14;1-3-25-15(24)21-13(23)10-6-7-26-14(10)20-12(22)9-4-5-11(19-8-9)16(2,17)18;1-2-24-16(23)20-14(22)11-4-6-25-15(11)19-13(21)10-7-9-3-5-17-12(9)18-8-10;1-2-19-12(18)15-9(16)7-3-4-20-11(7)14-10(17)8-5-13-6-21-8/h2-11H,1H3,(H2,19,22)(H,20,21,23);4-8H,3H2,1-2H3,(H,20,22)(H,21,23,24);3-8H,2H2,1H3,(H,17,18)(H,19,21)(H,20,22,23);3-6H,2H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyFUCPTADBBCKUCL-UHFFFAOYSA-N
MW1467.61 g/mol
LogP11.47
Rot. Bonds18

About N-[4-[N'-[3-(benzenesulfonyl)thiophen-2-yl]carbamimidoyl]-2-pyridinyl]acetamide;ethyl N-[2-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-thiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate

N-[4-[N'-[3-(benzenesulfonyl)thiophen-2-yl]carbamimidoyl]-2-pyridinyl]acetamide;ethyl N-[2-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-thiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 162278383) has the molecular formula C62H56F2N14O15S6 and a molecular weight of 1467.61 g/mol. Its IUPAC name is N-[4-[N'-[3-(benzenesulfonyl)thiophen-2-yl]carbamimidoyl]-2-pyridinyl]acetamide;ethyl N-[2-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-thiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound NameN-[4-[N'-[3-(benzenesulfonyl)thiophen-2-yl]carbamimidoyl]-2-pyridinyl]acetamide;ethyl N-[2-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-thiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate
PubChem CID162278383
Molecular FormulaC62H56F2N14O15S6
Molecular Weight1467.61 g/mol
Exact Mass1466.23
IUPAC NameN-[4-[N'-[3-(benzenesulfonyl)thiophen-2-yl]carbamimidoyl]-2-pyridinyl]acetamide;ethyl N-[2-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-thiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCC(=O)Nc1cc(C(N)=Nc2sccc2S(=O)(=O)c2ccccc2)ccn1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C(C)(F)F)nc1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2[nH]ccc2c1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cncs1
InChIInChI=1S/C18H16N4O3S2.C16H15F2N3O4S.C16H14N4O4S.C12H11N3O4S2/c1-12(23)21-16-11-13(7-9-20-16)17(19)22-18-15(8-10-26-18)27(24,25)14-5-3-2-4-6-14;1-3-25-15(24)21-13(23)10-6-7-26-14(10)20-12(22)9-4-5-11(19-8-9)16(2,17)18;1-2-24-16(23)20-14(22)11-4-6-25-15(11)19-13(21)10-7-9-3-5-17-12(9)18-8-10;1-2-19-12(18)15-9(16)7-3-4-20-11(7)14-10(17)8-5-13-6-21-8/h2-11H,1H3,(H2,19,22)(H,20,21,23);4-8H,3H2,1-2H3,(H,20,22)(H,21,23,24);3-8H,2H2,1H3,(H,17,18)(H,19,21)(H,20,22,23);3-6H,2H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyFUCPTADBBCKUCL-UHFFFAOYSA-N
XLogP11.47
TPSA422.47 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001467.61
LogP ≤ 511.47
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[4-[N'-[3-(benzenesulfonyl)thiophen-2-yl]carbamimidoyl]-2-pyridinyl]acetamide;ethyl N-[2-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-thiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate with MolForge

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Related Compounds

ethyl N-[2-(1H-imidazo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-phenyl-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 162281811

Frequently Asked Questions

What is the IUPAC name of N-[4-[N'-[3-(benzenesulfonyl)thiophen-2-yl]carbamimidoyl]-2-pyridinyl]acetamide;ethyl N-[2-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-thiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of N-[4-[N'-[3-(benzenesulfonyl)thiophen-2-yl]carbamimidoyl]-2-pyridinyl]acetamide;ethyl N-[2-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-thiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate (CID 162278383) is N-[4-[N'-[3-(benzenesulfonyl)thiophen-2-yl]carbamimidoyl]-2-pyridinyl]acetamide;ethyl N-[2-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-thiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for N-[4-[N'-[3-(benzenesulfonyl)thiophen-2-yl]carbamimidoyl]-2-pyridinyl]acetamide;ethyl N-[2-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-thiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for N-[4-[N'-[3-(benzenesulfonyl)thiophen-2-yl]carbamimidoyl]-2-pyridinyl]acetamide;ethyl N-[2-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-thiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate is CC(=O)Nc1cc(C(N)=Nc2sccc2S(=O)(=O)c2ccccc2)ccn1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C(C)(F)F)nc1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2[nH]ccc2c1.CCOC(=O)NC(=O)c1ccsc1NC(=O)c1cncs1.
What is the InChIKey of N-[4-[N'-[3-(benzenesulfonyl)thiophen-2-yl]carbamimidoyl]-2-pyridinyl]acetamide;ethyl N-[2-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-thiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is FUCPTADBBCKUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S2.C16H15F2N3O4S.C16H14N4O4S.C12H11N3O4S2/c1-12(23)21-16-11-13(7-9-20-16)17(19)22-18-15(8-10-26-18)27(24,25)14-5-3-2-4-6-14;1-3-25-15(24)21-13(23)10-6-7-26-14(10)20-12(22)9-4-5-11(19-8-9)16(2,17)18;1-2-24-16(23)20-14(22)11-4-6-25-15(11)19-13(21)10-7-9-3-5-17-12(9)18-8-10;1-2-19-12(18)15-9(16)7-3-4-20-11(7)14-10(17)8-5-13-6-21-8/h2-11H,1H3,(H2,19,22)(H,20,21,23);4-8H,3H2,1-2H3,(H,20,22)(H,21,23,24);3-8H,2H2,1H3,(H,17,18)(H,19,21)(H,20,22,23);3-6H,2H2,1H3,(H,14,17)(H,15,16,18).
What are the key properties of N-[4-[N'-[3-(benzenesulfonyl)thiophen-2-yl]carbamimidoyl]-2-pyridinyl]acetamide;ethyl N-[2-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-thiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate?
N-[4-[N'-[3-(benzenesulfonyl)thiophen-2-yl]carbamimidoyl]-2-pyridinyl]acetamide;ethyl N-[2-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-thiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 1467.61 g/mol, XLogP of 11.47, 18 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[N'-[3-(benzenesulfonyl)thiophen-2-yl]carbamimidoyl]-2-pyridinyl]acetamide;ethyl N-[2-[[6-(1,1-difluoroethyl)pyridine-3-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(1,3-thiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 162278383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).