2-(5-ethylthiophen-2-yl)-N,19-dimethyl-11-propan-2-yl-15-thiophen-2-yl-5,12,18,25-tetrathiaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1(26),2,4(8),6,9(13),10,14,16,19,21,23-undecaen-6-amine

C37H29NS6 — CID 145346968

IUPAC2-(5-ethylthiophen-2-yl)-N,19-dimethyl-11-propan-2-yl-15-thiophen-2-yl-5,12,18,25-tetrathiaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1(26),2,4(8),6,9(13),10,14,16,19,21,23-undecaen-6-amine
SMILESCCc1ccc(-c2c3c4sccc4c4cc(C)sc4c3c(-c3cccs3)c3c4sc(C(C)C)cc4c4cc(NC)sc4c23)s1
InChIInChI=1S/C37H29NS6/c1-6-19-9-10-25(42-19)29-30-31(35-21(14-18(4)41-35)20-11-13-40-34(20)30)28(24-8-7-12-39-24)32-33(29)37-23(16-27(38-5)44-37)22-15-26(17(2)3)43-36(22)32/h7-17,38H,6H2,1-5H3
InChIKeyOBOKDBHEAXFMNT-UHFFFAOYSA-N
MW680.05 g/mol
LogP14.34
Rot. Bonds5

About 2-(5-ethylthiophen-2-yl)-N,19-dimethyl-11-propan-2-yl-15-thiophen-2-yl-5,12,18,25-tetrathiaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1(26),2,4(8),6,9(13),10,14,16,19,21,23-undecaen-6-amine

2-(5-ethylthiophen-2-yl)-N,19-dimethyl-11-propan-2-yl-15-thiophen-2-yl-5,12,18,25-tetrathiaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1(26),2,4(8),6,9(13),10,14,16,19,21,23-undecaen-6-amine (PubChem CID 145346968) has the molecular formula C37H29NS6 and a molecular weight of 680.05 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-N,19-dimethyl-11-propan-2-yl-15-thiophen-2-yl-5,12,18,25-tetrathiaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1(26),2,4(8),6,9(13),10,14,16,19,21,23-undecaen-6-amine.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-N,19-dimethyl-11-propan-2-yl-15-thiophen-2-yl-5,12,18,25-tetrathiaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1(26),2,4(8),6,9(13),10,14,16,19,21,23-undecaen-6-amine
PubChem CID145346968
Molecular FormulaC37H29NS6
Molecular Weight680.05 g/mol
Exact Mass679.06
IUPAC Name2-(5-ethylthiophen-2-yl)-N,19-dimethyl-11-propan-2-yl-15-thiophen-2-yl-5,12,18,25-tetrathiaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1(26),2,4(8),6,9(13),10,14,16,19,21,23-undecaen-6-amine
SMILESCCc1ccc(-c2c3c4sccc4c4cc(C)sc4c3c(-c3cccs3)c3c4sc(C(C)C)cc4c4cc(NC)sc4c23)s1
InChIInChI=1S/C37H29NS6/c1-6-19-9-10-25(42-19)29-30-31(35-21(14-18(4)41-35)20-11-13-40-34(20)30)28(24-8-7-12-39-24)32-33(29)37-23(16-27(38-5)44-37)22-15-26(17(2)3)43-36(22)32/h7-17,38H,6H2,1-5H3
InChIKeyOBOKDBHEAXFMNT-UHFFFAOYSA-N
XLogP14.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.05
LogP ≤ 514.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-(5-ethylthiophen-2-yl)-N,19-dimethyl-11-propan-2-yl-15-thiophen-2-yl-5,12,18,25-tetrathiaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1(26),2,4(8),6,9(13),10,14,16,19,21,23-undecaen-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(5-tert-butylthiophen-2-yl)-2-ethyl-4-(5-ethylthiophen-2-yl)-6-methylthieno[2,3-f][1]benzothiole
CID 145347015
4-(4-ethylcyclopenta-1,3-dien-1-yl)-6-methyl-2-propan-2-yl-8-(4-propan-2-ylcyclopenta-1,3-dien-1-yl)thieno[2,3-f][1]benzothiole
CID 145346990
2-ethyl-5-[2-ethyl-5,10-bis(5-ethylthiophen-2-yl)-7-methyl-9-[5-(2-methylbutan-2-yl)thiophen-2-yl]pyren-4-yl]thiophene
CID 145347045
4-propan-2-yl-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 140825152
N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 43534521
5-[2-(dimethylamino)-7-ethyl-5,9-bis(5-ethylthiophen-2-yl)-10-(5-methylthiophen-2-yl)pyren-4-yl]-N,N-dimethylthiophen-2-amine;ethane;propane
CID 145347032
13,14,15,16-tetrakis(4-tert-butylphenyl)-4-[13,14,15,16-tetrakis(4-tert-butylphenyl)-3,10-dithiatetracyclo[10.4.0.02,6.07,11]hexadeca-1,4,6,8,11,13,15-heptaen-4-yl]-3,10-dithiatetracyclo[10.4.0.02,6.07,11]hexadeca-1,4,6,8,11,13,15-heptaene
CID 54597726
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole
CID 144783026
1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]propan-2-amine
CID 170890943
2-propan-2-ylthiophene
CID 178128598
4-methyl-N-(4-methylphenyl)-N-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]phenyl]aniline
CID 154532963

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-N,19-dimethyl-11-propan-2-yl-15-thiophen-2-yl-5,12,18,25-tetrathiaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1(26),2,4(8),6,9(13),10,14,16,19,21,23-undecaen-6-amine?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-N,19-dimethyl-11-propan-2-yl-15-thiophen-2-yl-5,12,18,25-tetrathiaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1(26),2,4(8),6,9(13),10,14,16,19,21,23-undecaen-6-amine (CID 145346968) is 2-(5-ethylthiophen-2-yl)-N,19-dimethyl-11-propan-2-yl-15-thiophen-2-yl-5,12,18,25-tetrathiaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1(26),2,4(8),6,9(13),10,14,16,19,21,23-undecaen-6-amine.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-N,19-dimethyl-11-propan-2-yl-15-thiophen-2-yl-5,12,18,25-tetrathiaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1(26),2,4(8),6,9(13),10,14,16,19,21,23-undecaen-6-amine?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-N,19-dimethyl-11-propan-2-yl-15-thiophen-2-yl-5,12,18,25-tetrathiaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1(26),2,4(8),6,9(13),10,14,16,19,21,23-undecaen-6-amine is CCc1ccc(-c2c3c4sccc4c4cc(C)sc4c3c(-c3cccs3)c3c4sc(C(C)C)cc4c4cc(NC)sc4c23)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-N,19-dimethyl-11-propan-2-yl-15-thiophen-2-yl-5,12,18,25-tetrathiaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1(26),2,4(8),6,9(13),10,14,16,19,21,23-undecaen-6-amine?
The InChIKey is OBOKDBHEAXFMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29NS6/c1-6-19-9-10-25(42-19)29-30-31(35-21(14-18(4)41-35)20-11-13-40-34(20)30)28(24-8-7-12-39-24)32-33(29)37-23(16-27(38-5)44-37)22-15-26(17(2)3)43-36(22)32/h7-17,38H,6H2,1-5H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-N,19-dimethyl-11-propan-2-yl-15-thiophen-2-yl-5,12,18,25-tetrathiaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1(26),2,4(8),6,9(13),10,14,16,19,21,23-undecaen-6-amine?
2-(5-ethylthiophen-2-yl)-N,19-dimethyl-11-propan-2-yl-15-thiophen-2-yl-5,12,18,25-tetrathiaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1(26),2,4(8),6,9(13),10,14,16,19,21,23-undecaen-6-amine has a molecular weight of 680.05 g/mol, XLogP of 14.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-N,19-dimethyl-11-propan-2-yl-15-thiophen-2-yl-5,12,18,25-tetrathiaheptacyclo[14.10.0.03,14.04,8.09,13.017,21.022,26]hexacosa-1(26),2,4(8),6,9(13),10,14,16,19,21,23-undecaen-6-amine is sourced from PubChem (CID 145346968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).