N-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C20H24N2O3S3 — CID 37400093

IUPACN-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(SC2CCCC2)cc1)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H24N2O3S3/c23-20(19-18(11-14-26-19)28(24,25)22-12-3-4-13-22)21-15-7-9-17(10-8-15)27-16-5-1-2-6-16/h7-11,14,16H,1-6,12-13H2,(H,21,23)
InChIKeyUKRQPZVBPKFTAK-UHFFFAOYSA-N
MW436.62 g/mol
LogP4.82
Rot. Bonds6

About N-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 37400093) has the molecular formula C20H24N2O3S3 and a molecular weight of 436.62 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID37400093
Molecular FormulaC20H24N2O3S3
Molecular Weight436.62 g/mol
Exact Mass436.09
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(SC2CCCC2)cc1)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C20H24N2O3S3/c23-20(19-18(11-14-26-19)28(24,25)22-12-3-4-13-22)21-15-7-9-17(10-8-15)27-16-5-1-2-6-16/h7-11,14,16H,1-6,12-13H2,(H,21,23)
InChIKeyUKRQPZVBPKFTAK-UHFFFAOYSA-N
XLogP4.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.62
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 55464525
methyl N-[4-[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 55804603
N-[4-(dimethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55523013
N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 55614476
N-(6-methoxy-3-pyridinyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46665715
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 55714996
N-[2-(cyclohexanecarbonylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55805610
N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 119475088
N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 60593967
N-(2-methyl-1,3-benzoxazol-6-yl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 86923795
3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 53076940
3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 18275492

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 37400093) is N-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is O=C(Nc1ccc(SC2CCCC2)cc1)c1sccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is UKRQPZVBPKFTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S3/c23-20(19-18(11-14-26-19)28(24,25)22-12-3-4-13-22)21-15-7-9-17(10-8-15)27-16-5-1-2-6-16/h7-11,14,16H,1-6,12-13H2,(H,21,23).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 436.62 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 37400093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).