1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid

C18H20N2O5S — CID 119176545

IUPAC1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)n2ccc(C(=O)NC3(C(=O)O)CCCC3)c2)cc1
InChIInChI=1S/C18H20N2O5S/c1-13-4-6-15(7-5-13)26(24,25)20-11-8-14(12-20)16(21)19-18(17(22)23)9-2-3-10-18/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,21)(H,22,23)
InChIKeyYVAPVJDJAOXEQR-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.16
Rot. Bonds5

About 1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid

1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 119176545) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID119176545
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)n2ccc(C(=O)NC3(C(=O)O)CCCC3)c2)cc1
InChIInChI=1S/C18H20N2O5S/c1-13-4-6-15(7-5-13)26(24,25)20-11-8-14(12-20)16(21)19-18(17(22)23)9-2-3-10-18/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,21)(H,22,23)
InChIKeyYVAPVJDJAOXEQR-UHFFFAOYSA-N
XLogP2.16
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]butanoic acid
CID 119221019
2-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]butanoic acid
CID 119199273
1-(4-methylphenyl)sulfonyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrole-3-carboxamide
CID 146501054
N-[2-(methylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 120830377
1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide
CID 146501012
N-[(2R)-1-methoxypropan-2-yl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 95305472
1-(4-methylphenyl)sulfonyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide
CID 120600456
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide;hydrochloride
CID 120946680
N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 120652815
1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 146501073
1-(4-methylphenyl)sulfonyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrole-3-carboxamide
CID 146501048
3-buta-1,3-dien-2-yl-1-(4-methylphenyl)sulfonylpyrrole
CID 139226054

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 119176545) is 1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid is Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC3(C(=O)O)CCCC3)c2)cc1.
What is the InChIKey of 1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is YVAPVJDJAOXEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-13-4-6-15(7-5-13)26(24,25)20-11-8-14(12-20)16(21)19-18(17(22)23)9-2-3-10-18/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 376.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119176545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).