N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide

C19H22N2O3S — CID 7286245

IUPACN-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-15-9-11-18(12-10-15)25(23,24)21-13-5-8-17(21)14-20-19(22)16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyIOFVNXWKBSHZTQ-KRWDZBQOSA-N
MW358.46 g/mol
LogP2.58
Rot. Bonds5

About N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide

N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide (PubChem CID 7286245) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
PubChem CID7286245
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-15-9-11-18(12-10-15)25(23,24)21-13-5-8-17(21)14-20-19(22)16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyIOFVNXWKBSHZTQ-KRWDZBQOSA-N
XLogP2.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286218
N-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-(4-methylphenyl)oxamide
CID 7286014
1-(4-methylphenyl)-3-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]urea
CID 7286214
N-(2-hydroxyethyl)-N'-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286174
N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide
CID 18574803
ethyl 2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methylamino]-2-oxoacetate
CID 7286192
N'-cyclopentyl-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286154
N'-(2,6-dimethylphenyl)-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222490
N'-[(2-fluorophenyl)methyl]-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 18574844
N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]adamantane-1-carboxamide
CID 42634675
N'-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N-ethyloxamide
CID 7286107
N'-(3,5-dimethylphenyl)-N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222440

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide (CID 7286245) is N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide is Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide?
The InChIKey is IOFVNXWKBSHZTQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15-9-11-18(12-10-15)25(23,24)21-13-5-8-17(21)14-20-19(22)16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide?
N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide has a molecular weight of 358.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 7286245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).