(3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide

C18H20N2O3S — CID 129373851

IUPAC(3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H20N2O3S/c1-14-7-5-6-10-17(14)19-18(21)20-12-11-16(13-20)24(22,23)15-8-3-2-4-9-15/h2-10,16H,11-13H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyPKTRUOTVXBAUCG-MRXNPFEDSA-N
MW344.44 g/mol
LogP3.08
Rot. Bonds3

About (3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide

(3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 129373851) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID129373851
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H20N2O3S/c1-14-7-5-6-10-17(14)19-18(21)20-12-11-16(13-20)24(22,23)15-8-3-2-4-9-15/h2-10,16H,11-13H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyPKTRUOTVXBAUCG-MRXNPFEDSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide
CID 97414974
(3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 97354940
3-(benzenesulfonyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90585047
4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide
CID 24731921
3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 71805623
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone
CID 90586593
2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64616406
(3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 97414951
4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide
CID 143541768
3-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90587847
(3R)-3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 97427307
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide (CID 129373851) is (3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccccc1NC(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is PKTRUOTVXBAUCG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-14-7-5-6-10-17(14)19-18(21)20-12-11-16(13-20)24(22,23)15-8-3-2-4-9-15/h2-10,16H,11-13H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of (3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide?
(3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 129373851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).