N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

C21H27N3O3S2 — CID 56555653

IUPACN-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(NCC2CCCC2)cc1)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C21H27N3O3S2/c25-21(19-7-3-13-24(19)29(26,27)20-8-4-14-28-20)23-18-11-9-17(10-12-18)22-15-16-5-1-2-6-16/h4,8-12,14,16,19,22H,1-3,5-7,13,15H2,(H,23,25)
InChIKeyRTEKPSXIGHBYBV-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.14
Rot. Bonds7

About N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 56555653) has the molecular formula C21H27N3O3S2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID56555653
Molecular FormulaC21H27N3O3S2
Molecular Weight433.60 g/mol
Exact Mass433.15
IUPAC NameN-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(NCC2CCCC2)cc1)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C21H27N3O3S2/c25-21(19-7-3-13-24(19)29(26,27)20-8-4-14-28-20)23-18-11-9-17(10-12-18)22-15-16-5-1-2-6-16/h4,8-12,14,16,19,22H,1-3,5-7,13,15H2,(H,23,25)
InChIKeyRTEKPSXIGHBYBV-UHFFFAOYSA-N
XLogP4.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814
(2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 27452267
N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341686
(2R)-N-(1-benzothiophen-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614806
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 16830717
N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826406
N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341707
(2R)-N-(2-methyl-1,3-benzoxazol-6-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 99702000
(2R)-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799494
ethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate
CID 7614852

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 56555653) is N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is O=C(Nc1ccc(NCC2CCCC2)cc1)C1CCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is RTEKPSXIGHBYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S2/c25-21(19-7-3-13-24(19)29(26,27)20-8-4-14-28-20)23-18-11-9-17(10-12-18)22-15-16-5-1-2-6-16/h4,8-12,14,16,19,22H,1-3,5-7,13,15H2,(H,23,25).
What are the key properties of N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56555653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).