N-[(1S)-1-[3-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]ethyl]acetamide

C21H25N3O4S — CID 25300845

IUPACN-[(1S)-1-[3-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1cccc(NS(=O)(=O)c2cc(N3CCCC3=O)ccc2C)c1
InChIInChI=1S/C21H25N3O4S/c1-14-9-10-19(24-11-5-8-21(24)26)13-20(14)29(27,28)23-18-7-4-6-17(12-18)15(2)22-16(3)25/h4,6-7,9-10,12-13,15,23H,5,8,11H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyMIUDDDVGWJDXKA-HNNXBMFYSA-N
MW415.52 g/mol
LogP3.12
Rot. Bonds6

About N-[(1S)-1-[3-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]ethyl]acetamide

N-[(1S)-1-[3-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]ethyl]acetamide (PubChem CID 25300845) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[(1S)-1-[3-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]ethyl]acetamide
PubChem CID25300845
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[(1S)-1-[3-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1cccc(NS(=O)(=O)c2cc(N3CCCC3=O)ccc2C)c1
InChIInChI=1S/C21H25N3O4S/c1-14-9-10-19(24-11-5-8-21(24)26)13-20(14)29(27,28)23-18-7-4-6-17(12-18)15(2)22-16(3)25/h4,6-7,9-10,12-13,15,23H,5,8,11H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyMIUDDDVGWJDXKA-HNNXBMFYSA-N
XLogP3.12
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635945
4-chloro-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635926
4-methoxy-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635954
methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate
CID 35530952
2-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119307539
2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841870
2-methoxy-N-(3-methoxyphenyl)-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295704
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
CID 121052835
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635918
3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 30399937
N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99954228
dimethyl 5-[[3-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate
CID 26268468

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[3-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]ethyl]acetamide (CID 25300845) is N-[(1S)-1-[3-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[3-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[3-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1cccc(NS(=O)(=O)c2cc(N3CCCC3=O)ccc2C)c1.
What is the InChIKey of N-[(1S)-1-[3-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]ethyl]acetamide?
The InChIKey is MIUDDDVGWJDXKA-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-14-9-10-19(24-11-5-8-21(24)26)13-20(14)29(27,28)23-18-7-4-6-17(12-18)15(2)22-16(3)25/h4,6-7,9-10,12-13,15,23H,5,8,11H2,1-3H3,(H,22,25)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-[3-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]ethyl]acetamide?
N-[(1S)-1-[3-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]ethyl]acetamide has a molecular weight of 415.52 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-[[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]ethyl]acetamide is sourced from PubChem (CID 25300845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).