N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(5-sulfamoylthiophen-2-yl)acetamide

C21H26N4O3S3 — CID 162512169

IUPACN-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(5-sulfamoylthiophen-2-yl)acetamide
SMILESN#Cc1c(NC(=O)Cc2ccc(S(N)(=O)=O)s2)sc2c1CN(CC1CCCCC1)CC2
InChIInChI=1S/C21H26N4O3S3/c22-11-16-17-13-25(12-14-4-2-1-3-5-14)9-8-18(17)30-21(16)24-19(26)10-15-6-7-20(29-15)31(23,27)28/h6-7,14H,1-5,8-10,12-13H2,(H,24,26)(H2,23,27,28)
InChIKeyXQZZNPPSRFGIEG-UHFFFAOYSA-N
MW478.67 g/mol
LogP3.45
Rot. Bonds6

About N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(5-sulfamoylthiophen-2-yl)acetamide

N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(5-sulfamoylthiophen-2-yl)acetamide (PubChem CID 162512169) has the molecular formula C21H26N4O3S3 and a molecular weight of 478.67 g/mol. Its IUPAC name is N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(5-sulfamoylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(5-sulfamoylthiophen-2-yl)acetamide
PubChem CID162512169
Molecular FormulaC21H26N4O3S3
Molecular Weight478.67 g/mol
Exact Mass478.12
IUPAC NameN-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(5-sulfamoylthiophen-2-yl)acetamide
SMILESN#Cc1c(NC(=O)Cc2ccc(S(N)(=O)=O)s2)sc2c1CN(CC1CCCCC1)CC2
InChIInChI=1S/C21H26N4O3S3/c22-11-16-17-13-25(12-14-4-2-1-3-5-14)9-8-18(17)30-21(16)24-19(26)10-15-6-7-20(29-15)31(23,27)28/h6-7,14H,1-5,8-10,12-13H2,(H,24,26)(H2,23,27,28)
InChIKeyXQZZNPPSRFGIEG-UHFFFAOYSA-N
XLogP3.45
TPSA116.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.67
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(5-sulfamoylthiophen-2-yl)acetamide with MolForge

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Related Compounds

N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 156754459
4-[2-[[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]prop-2-enyl]benzenesulfonamide
CID 167297744
bromomethylcyclopentane;N-[3-cyano-5-(cyclopentylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide;N-(3-cyano-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-2-(4-sulfamoylphenyl)acetamide
CID 163711037
5-(cyclohexylmethyl)-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile;methyl N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]methanimidate
CID 163816486
N-[3-cyano-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide
CID 156754463
methyl N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]methanimidate
CID 163530608
2-cyclohexyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 43093036
N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-thiophen-2-ylacetamide
CID 30515949
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-nitrophenyl)acetamide
CID 4081891
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide
CID 55626327
1-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 7998586
2-amino-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile;methyl N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]methanimidate
CID 163531124

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(5-sulfamoylthiophen-2-yl)acetamide?
The IUPAC name of N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(5-sulfamoylthiophen-2-yl)acetamide (CID 162512169) is N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(5-sulfamoylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(5-sulfamoylthiophen-2-yl)acetamide?
The canonical SMILES for N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(5-sulfamoylthiophen-2-yl)acetamide is N#Cc1c(NC(=O)Cc2ccc(S(N)(=O)=O)s2)sc2c1CN(CC1CCCCC1)CC2.
What is the InChIKey of N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(5-sulfamoylthiophen-2-yl)acetamide?
The InChIKey is XQZZNPPSRFGIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S3/c22-11-16-17-13-25(12-14-4-2-1-3-5-14)9-8-18(17)30-21(16)24-19(26)10-15-6-7-20(29-15)31(23,27)28/h6-7,14H,1-5,8-10,12-13H2,(H,24,26)(H2,23,27,28).
What are the key properties of N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(5-sulfamoylthiophen-2-yl)acetamide?
N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(5-sulfamoylthiophen-2-yl)acetamide has a molecular weight of 478.67 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(5-sulfamoylthiophen-2-yl)acetamide is sourced from PubChem (CID 162512169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).