N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide

C14H17ClN4O4S — CID 125163461

IUPACN-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide
SMILESC[C@@H](NC(=O)CCNS(C)(=O)=O)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H17ClN4O4S/c1-9(17-12(20)7-8-16-24(2,21)22)14-18-13(19-23-14)10-3-5-11(15)6-4-10/h3-6,9,16H,7-8H2,1-2H3,(H,17,20)/t9-/m1/s1
InChIKeyVVWQDMZRWVYMCZ-SECBINFHSA-N
MW372.83 g/mol
LogP1.51
Rot. Bonds7

About N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide

N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide (PubChem CID 125163461) has the molecular formula C14H17ClN4O4S and a molecular weight of 372.83 g/mol. Its IUPAC name is N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide
PubChem CID125163461
Molecular FormulaC14H17ClN4O4S
Molecular Weight372.83 g/mol
Exact Mass372.07
IUPAC NameN-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide
SMILESC[C@@H](NC(=O)CCNS(C)(=O)=O)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H17ClN4O4S/c1-9(17-12(20)7-8-16-24(2,21)22)14-18-13(19-23-14)10-3-5-11(15)6-4-10/h3-6,9,16H,7-8H2,1-2H3,(H,17,20)/t9-/m1/s1
InChIKeyVVWQDMZRWVYMCZ-SECBINFHSA-N
XLogP1.51
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide with MolForge

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Related Compounds

3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 125178000
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101346
2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 91634959
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 55649353
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 7449596
tert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 90414461
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63347248
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 83280920
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 6459013
N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,5-difluorobenzamide
CID 95782686
2-(2,4-dichlorophenyl)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 49179679
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 4899070

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide?
The IUPAC name of N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide (CID 125163461) is N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide.
What is the SMILES notation for N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide?
The canonical SMILES for N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide is C[C@@H](NC(=O)CCNS(C)(=O)=O)c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide?
The InChIKey is VVWQDMZRWVYMCZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H17ClN4O4S/c1-9(17-12(20)7-8-16-24(2,21)22)14-18-13(19-23-14)10-3-5-11(15)6-4-10/h3-6,9,16H,7-8H2,1-2H3,(H,17,20)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide?
N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide has a molecular weight of 372.83 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 125163461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).