N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C20H24N2O4S2 — CID 17452421

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCC1CN(S(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)CC(C)O1
InChIInChI=1S/C20H24N2O4S2/c1-13-11-22(12-14(2)26-13)28(24,25)17-8-6-16(7-9-17)21-20(23)19-10-15-4-3-5-18(15)27-19/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,21,23)
InChIKeyNOBOYOPTHLQXNY-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.29
Rot. Bonds4

About N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 17452421) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID17452421
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCC1CN(S(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)CC(C)O1
InChIInChI=1S/C20H24N2O4S2/c1-13-11-22(12-14(2)26-13)28(24,25)17-8-6-16(7-9-17)21-20(23)19-10-15-4-3-5-18(15)27-19/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,21,23)
InChIKeyNOBOYOPTHLQXNY-UHFFFAOYSA-N
XLogP3.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide with MolForge

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Related Compounds

N-(4-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7926337
N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 89237969
N-[4-[(3S)-3-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 89239186
N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 9034844
N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 89236220
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
CID 94696380
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 2326585
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]furan-3-carboxamide
CID 27018677
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
CID 40606298
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-phenylbenzamide
CID 6463291
N-(4-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9153937
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 41170655

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 17452421) is N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is CC1CN(S(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is NOBOYOPTHLQXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-13-11-22(12-14(2)26-13)28(24,25)17-8-6-16(7-9-17)21-20(23)19-10-15-4-3-5-18(15)27-19/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 17452421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).