N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide

C19H23N3O3S — CID 31268510

IUPACN-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N[C@H](C(=O)N2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O3S/c1-26(24,25)21-17-11-9-16(10-12-17)20-18(15-7-3-2-4-8-15)19(23)22-13-5-6-14-22/h2-4,7-12,18,20-21H,5-6,13-14H2,1H3/t18-/m0/s1
InChIKeyBBSFNMJTHARVTJ-SFHVURJKSA-N
MW373.48 g/mol
LogP2.83
Rot. Bonds6

About N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide

N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide (PubChem CID 31268510) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide
PubChem CID31268510
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N[C@H](C(=O)N2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O3S/c1-26(24,25)21-17-11-9-16(10-12-17)20-18(15-7-3-2-4-8-15)19(23)22-13-5-6-14-22/h2-4,7-12,18,20-21H,5-6,13-14H2,1H3/t18-/m0/s1
InChIKeyBBSFNMJTHARVTJ-SFHVURJKSA-N
XLogP2.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide
CID 18269468
(2S)-2-(1,3-benzodioxol-5-ylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 41119455
3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide
CID 94819637
2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide
CID 34296118
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-phenyl-1-piperidin-1-ylethanone
CID 47013128
2-(4-methylanilino)-4,4-diphenyl-1-pyrrolidin-1-ylbutan-1-one
CID 171784700
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 110286822
N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268214
N-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide
CID 51107460
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 2972888
(2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-morpholin-4-yl-2-phenylethanone
CID 9296614
2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide (CID 31268510) is N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(N[C@H](C(=O)N2CCCC2)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide?
The InChIKey is BBSFNMJTHARVTJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-26(24,25)21-17-11-9-16(10-12-17)20-18(15-7-3-2-4-8-15)19(23)22-13-5-6-14-22/h2-4,7-12,18,20-21H,5-6,13-14H2,1H3/t18-/m0/s1.
What are the key properties of N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide?
N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 31268510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).