N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide

C14H18ClN3O4S — CID 126427638

IUPACN-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)NCCC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClN3O4S/c1-23(21,22)16-7-6-13(19)17-11-8-14(20)18(9-11)12-4-2-10(15)3-5-12/h2-5,11,16H,6-9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyJIFVMAWHORHNRD-LLVKDONJSA-N
MW359.84 g/mol
LogP0.50
Rot. Bonds6

About N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide

N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide (PubChem CID 126427638) has the molecular formula C14H18ClN3O4S and a molecular weight of 359.84 g/mol. Its IUPAC name is N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide
PubChem CID126427638
Molecular FormulaC14H18ClN3O4S
Molecular Weight359.84 g/mol
Exact Mass359.07
IUPAC NameN-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)NCCC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClN3O4S/c1-23(21,22)16-7-6-13(19)17-11-8-14(20)18(9-11)12-4-2-10(15)3-5-12/h2-5,11,16H,6-9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyJIFVMAWHORHNRD-LLVKDONJSA-N
XLogP0.50
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7563794
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 7255518
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 7564831
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
CID 7548798
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 43971264
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 7563965
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-oxoazepan-1-yl)propanamide
CID 131899265
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-phenylphenyl)acetamide
CID 43971255
4-tert-butyl-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563819
3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 43971221
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 7255570

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide?
The IUPAC name of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide (CID 126427638) is N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide.
What is the SMILES notation for N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide?
The canonical SMILES for N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide is CS(=O)(=O)NCCC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide?
The InChIKey is JIFVMAWHORHNRD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18ClN3O4S/c1-23(21,22)16-7-6-13(19)17-11-8-14(20)18(9-11)12-4-2-10(15)3-5-12/h2-5,11,16H,6-9H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide?
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide has a molecular weight of 359.84 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 126427638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).