N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C24H24N2O3S — CID 28954772

IUPACN-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1ccc([C@H](NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3S/c1-18-9-11-20(12-10-18)24(19-6-3-2-4-7-19)25-30(28,29)22-15-13-21(14-16-22)26-17-5-8-23(26)27/h2-4,6-7,9-16,24-25H,5,8,17H2,1H3/t24-/m1/s1
InChIKeyQNRUYADVFQFZID-XMMPIXPASA-N
MW420.53 g/mol
LogP4.19
Rot. Bonds6

About N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 28954772) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID28954772
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1ccc([C@H](NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3S/c1-18-9-11-20(12-10-18)24(19-6-3-2-4-7-19)25-30(28,29)22-15-13-21(14-16-22)26-17-5-8-23(26)27/h2-4,6-7,9-16,24-25H,5,8,17H2,1H3/t24-/m1/s1
InChIKeyQNRUYADVFQFZID-XMMPIXPASA-N
XLogP4.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 24511066
4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide
CID 30386601
N-[(2R)-3-methylbutan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 41200777
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 30382255
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92684806
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822523
N-[(2R)-butan-2-yl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 42346693
N-(dicyclopropylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31847318
N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51249075

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 28954772) is N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is Cc1ccc([C@H](NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is QNRUYADVFQFZID-XMMPIXPASA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-18-9-11-20(12-10-18)24(19-6-3-2-4-7-19)25-30(28,29)22-15-13-21(14-16-22)26-17-5-8-23(26)27/h2-4,6-7,9-16,24-25H,5,8,17H2,1H3/t24-/m1/s1.
What are the key properties of N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 420.53 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 28954772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).