1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide

C22H24N2O3S — CID 67610930

IUPAC1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide
SMILESCc1ccc(C(=O)c2[nH]c(CC(C)(c3ccccc3)S(N)(=O)=O)cc2C)cc1
InChIInChI=1S/C22H24N2O3S/c1-15-9-11-17(12-10-15)21(25)20-16(2)13-19(24-20)14-22(3,28(23,26)27)18-7-5-4-6-8-18/h4-13,24H,14H2,1-3H3,(H2,23,26,27)
InChIKeyYBEOWHBAVWTPPH-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.61
Rot. Bonds6

About 1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide

1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide (PubChem CID 67610930) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide.

Molecular Properties

Compound Name1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide
PubChem CID67610930
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide
SMILESCc1ccc(C(=O)c2[nH]c(CC(C)(c3ccccc3)S(N)(=O)=O)cc2C)cc1
InChIInChI=1S/C22H24N2O3S/c1-15-9-11-17(12-10-15)21(25)20-16(2)13-19(24-20)14-22(3,28(23,26)27)18-7-5-4-6-8-18/h4-13,24H,14H2,1-3H3,(H2,23,26,27)
InChIKeyYBEOWHBAVWTPPH-UHFFFAOYSA-N
XLogP3.61
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide
CID 67610935
1-[5-(4-bromobenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide
CID 67611126
1-[5-(2-chloro-4-methoxybenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide
CID 67611857
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
1-(4-benzoylphenyl)-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one
CID 141452224
[2-(3-benzoylphenyl)-2-methylpropyl] 4-methylbenzenesulfonate
CID 12805123
(2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone
CID 102359954
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
benzoic acid;4-methylbenzoic acid
CID 71272637
[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 118357502
bis(4-tritylbenzoic acid);1,4-xylene
CID 139197830
ethyl 3,3-dimethyl-2-(4-methylphenyl)sulfonyloxy-2-phenylbutanoate
CID 141263651

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide?
The IUPAC name of 1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide (CID 67610930) is 1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide.
What is the SMILES notation for 1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide?
The canonical SMILES for 1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide is Cc1ccc(C(=O)c2[nH]c(CC(C)(c3ccccc3)S(N)(=O)=O)cc2C)cc1.
What is the InChIKey of 1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide?
The InChIKey is YBEOWHBAVWTPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-15-9-11-17(12-10-15)21(25)20-16(2)13-19(24-20)14-22(3,28(23,26)27)18-7-5-4-6-8-18/h4-13,24H,14H2,1-3H3,(H2,23,26,27).
What are the key properties of 1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide?
1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide has a molecular weight of 396.51 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide is sourced from PubChem (CID 67610930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).