N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

C17H17N3O4S3 — CID 27261862

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESN#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)sc2c1CCC2
InChIInChI=1S/C17H17N3O4S3/c18-9-13-12-2-1-3-14(12)26-17(13)19-16(21)15-8-11(10-25-15)27(22,23)20-4-6-24-7-5-20/h8,10H,1-7H2,(H,19,21)
InChIKeyYTGIFYCYORKCJL-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.44
Rot. Bonds4

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 27261862) has the molecular formula C17H17N3O4S3 and a molecular weight of 423.54 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID27261862
Molecular FormulaC17H17N3O4S3
Molecular Weight423.54 g/mol
Exact Mass423.04
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESN#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)sc2c1CCC2
InChIInChI=1S/C17H17N3O4S3/c18-9-13-12-2-1-3-14(12)26-17(13)19-16(21)15-8-11(10-25-15)27(22,23)20-4-6-24-7-5-20/h8,10H,1-7H2,(H,19,21)
InChIKeyYTGIFYCYORKCJL-UHFFFAOYSA-N
XLogP2.44
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 2330284
2-[[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 110829489
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1107146
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 23986794
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]acetamide
CID 41209589
4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6486031
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 4134387
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3443144
1-N,4-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide
CID 2452546
4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide
CID 60656530
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-morpholin-4-ylacetamide
CID 705201
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-ethyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3168659

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (CID 27261862) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)sc2c1CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is YTGIFYCYORKCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S3/c18-9-13-12-2-1-3-14(12)26-17(13)19-16(21)15-8-11(10-25-15)27(22,23)20-4-6-24-7-5-20/h8,10H,1-7H2,(H,19,21).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 27261862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).