(2R)-1-(4-acetamidophenyl)sulfonyl-N-cyclohexyl-2,5-dihydropyrrole-2-carboxamide

C19H25N3O4S — CID 16672296

IUPAC(2R)-1-(4-acetamidophenyl)sulfonyl-N-cyclohexyl-2,5-dihydropyrrole-2-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC=C[C@@H]2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H25N3O4S/c1-14(23)20-16-9-11-17(12-10-16)27(25,26)22-13-5-8-18(22)19(24)21-15-6-3-2-4-7-15/h5,8-12,15,18H,2-4,6-7,13H2,1H3,(H,20,23)(H,21,24)/t18-/m1/s1
InChIKeyNXJAUVWNVBGWRP-GOSISDBHSA-N
MW391.49 g/mol
LogP2.02
Rot. Bonds5

About (2R)-1-(4-acetamidophenyl)sulfonyl-N-cyclohexyl-2,5-dihydropyrrole-2-carboxamide

(2R)-1-(4-acetamidophenyl)sulfonyl-N-cyclohexyl-2,5-dihydropyrrole-2-carboxamide (PubChem CID 16672296) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is (2R)-1-(4-acetamidophenyl)sulfonyl-N-cyclohexyl-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-acetamidophenyl)sulfonyl-N-cyclohexyl-2,5-dihydropyrrole-2-carboxamide
PubChem CID16672296
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name(2R)-1-(4-acetamidophenyl)sulfonyl-N-cyclohexyl-2,5-dihydropyrrole-2-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC=C[C@@H]2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H25N3O4S/c1-14(23)20-16-9-11-17(12-10-16)27(25,26)22-13-5-8-18(22)19(24)21-15-6-3-2-4-7-15/h5,8-12,15,18H,2-4,6-7,13H2,1H3,(H,20,23)(H,21,24)/t18-/m1/s1
InChIKeyNXJAUVWNVBGWRP-GOSISDBHSA-N
XLogP2.02
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-2,5-dihydropyrrole-2-carboxamide
CID 46952323
(3R)-2-(4-acetamidophenyl)sulfonyl-N-cyclopentyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 41130690
N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 58656229
N-[9-(4-acetamidophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
CID 644580
N-[(1S,5S)-9-(4-acetamidophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
CID 98110608
N-[(1R,5R)-9-(4-acetamidophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
CID 98110607
(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
CID 7058609
(2S)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
CID 7058607
N-[4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
CID 11926480
N-[4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
CID 11926481
(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate
CID 7058608
(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8701358

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-acetamidophenyl)sulfonyl-N-cyclohexyl-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of (2R)-1-(4-acetamidophenyl)sulfonyl-N-cyclohexyl-2,5-dihydropyrrole-2-carboxamide (CID 16672296) is (2R)-1-(4-acetamidophenyl)sulfonyl-N-cyclohexyl-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-acetamidophenyl)sulfonyl-N-cyclohexyl-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for (2R)-1-(4-acetamidophenyl)sulfonyl-N-cyclohexyl-2,5-dihydropyrrole-2-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)N2CC=C[C@@H]2C(=O)NC2CCCCC2)cc1.
What is the InChIKey of (2R)-1-(4-acetamidophenyl)sulfonyl-N-cyclohexyl-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is NXJAUVWNVBGWRP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-14(23)20-16-9-11-17(12-10-16)27(25,26)22-13-5-8-18(22)19(24)21-15-6-3-2-4-7-15/h5,8-12,15,18H,2-4,6-7,13H2,1H3,(H,20,23)(H,21,24)/t18-/m1/s1.
What are the key properties of (2R)-1-(4-acetamidophenyl)sulfonyl-N-cyclohexyl-2,5-dihydropyrrole-2-carboxamide?
(2R)-1-(4-acetamidophenyl)sulfonyl-N-cyclohexyl-2,5-dihydropyrrole-2-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-acetamidophenyl)sulfonyl-N-cyclohexyl-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 16672296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).