4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide

C17H18N4O4S — CID 97416381

IUPAC4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc(=O)n(C)c3)no2)cc1
InChIInChI=1S/C17H18N4O4S/c1-11-4-7-14(8-5-11)26(23,24)20-12(2)17-18-16(19-25-17)13-6-9-15(22)21(3)10-13/h4-10,12,20H,1-3H3/t12-/m0/s1
InChIKeyKBBZFIFPLSYOFW-LBPRGKRZSA-N
MW374.42 g/mol
LogP1.78
Rot. Bonds5

About 4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide

4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 97416381) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
PubChem CID97416381
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc(=O)n(C)c3)no2)cc1
InChIInChI=1S/C17H18N4O4S/c1-11-4-7-14(8-5-11)26(23,24)20-12(2)17-18-16(19-25-17)13-6-9-15(22)21(3)10-13/h4-10,12,20H,1-3H3/t12-/m0/s1
InChIKeyKBBZFIFPLSYOFW-LBPRGKRZSA-N
XLogP1.78
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 97416382
N-[1-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 50822972
4-methyl-N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 92888250
4-methyl-N-[1-[3-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 171682385
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
CID 46262831
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101563
N-[(1R)-1-[3-(1-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 93070148
4-chloro-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 92702056
4-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 17101317
N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 92735234
4-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 52508983
N-[4-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide
CID 6492266

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide (CID 97416381) is 4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc(=O)n(C)c3)no2)cc1.
What is the InChIKey of 4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is KBBZFIFPLSYOFW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-11-4-7-14(8-5-11)26(23,24)20-12(2)17-18-16(19-25-17)13-6-9-15(22)21(3)10-13/h4-10,12,20H,1-3H3/t12-/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide has a molecular weight of 374.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 97416381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).