N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pyridine-4-carboxamide

C24H27N3O3S — CID 42581072

IUPACN-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)c2c(C)c(C)n(C3CCCC3)c2NC(=O)c2ccncc2)cc1
InChIInChI=1S/C24H27N3O3S/c1-16-8-10-21(11-9-16)31(29,30)22-17(2)18(3)27(20-6-4-5-7-20)23(22)26-24(28)19-12-14-25-15-13-19/h8-15,20H,4-7H2,1-3H3,(H,26,28)
InChIKeyBRUNEZJPBMLEBN-UHFFFAOYSA-N
MW437.57 g/mol
LogP5.01
Rot. Bonds5

About N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pyridine-4-carboxamide

N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pyridine-4-carboxamide (PubChem CID 42581072) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pyridine-4-carboxamide
PubChem CID42581072
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)c2c(C)c(C)n(C3CCCC3)c2NC(=O)c2ccncc2)cc1
InChIInChI=1S/C24H27N3O3S/c1-16-8-10-21(11-9-16)31(29,30)22-17(2)18(3)27(20-6-4-5-7-20)23(22)26-24(28)19-12-14-25-15-13-19/h8-15,20H,4-7H2,1-3H3,(H,26,28)
InChIKeyBRUNEZJPBMLEBN-UHFFFAOYSA-N
XLogP5.01
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.57
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]oxolane-2-carboxamide
CID 42649481
N-[3-(benzenesulfonyl)-1-cyclopentyl-4,5-dimethylpyrrol-2-yl]acetamide
CID 42582679
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide
CID 42535088
N-[3-(benzenesulfonyl)-1-(2-methoxyethyl)-4,5-dimethylpyrrol-2-yl]-4-methylbenzamide
CID 42581154
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
N-(4-methylphenyl)pyridine-4-carboxamide;propane
CID 142028273
N-cyclohexylpyridine-4-carboxamide
CID 3436730
1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene
CID 10972270
1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515819
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide
CID 110125810

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pyridine-4-carboxamide (CID 42581072) is N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pyridine-4-carboxamide is Cc1ccc(S(=O)(=O)c2c(C)c(C)n(C3CCCC3)c2NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pyridine-4-carboxamide?
The InChIKey is BRUNEZJPBMLEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-16-8-10-21(11-9-16)31(29,30)22-17(2)18(3)27(20-6-4-5-7-20)23(22)26-24(28)19-12-14-25-15-13-19/h8-15,20H,4-7H2,1-3H3,(H,26,28).
What are the key properties of N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pyridine-4-carboxamide?
N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pyridine-4-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 42581072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).