N-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide

C14H15N3O3S — CID 30056480

IUPACN-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide
SMILESCc1cc(CS(=O)(=O)N(CCC#N)c2ccccc2)no1
InChIInChI=1S/C14H15N3O3S/c1-12-10-13(16-20-12)11-21(18,19)17(9-5-8-15)14-6-3-2-4-7-14/h2-4,6-7,10H,5,9,11H2,1H3
InChIKeyIRDPANGCUKPIDH-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.23
Rot. Bonds6

About N-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide

N-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide (PubChem CID 30056480) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide
PubChem CID30056480
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide
SMILESCc1cc(CS(=O)(=O)N(CCC#N)c2ccccc2)no1
InChIInChI=1S/C14H15N3O3S/c1-12-10-13(16-20-12)11-21(18,19)17(9-5-8-15)14-6-3-2-4-7-14/h2-4,6-7,10H,5,9,11H2,1H3
InChIKeyIRDPANGCUKPIDH-UHFFFAOYSA-N
XLogP2.23
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-propylmethanesulfonamide
CID 63230035
N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide
CID 79593944
N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
CID 103847451
2-[2-(dimethylamino)ethyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid
CID 107424559
N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide
CID 29032011
N-ethyl-N-(3-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 115650821
2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide
CID 43455903
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 63265679
3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide
CID 4987406
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 55409358
N-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 154882868
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 87013821

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide (CID 30056480) is N-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide is Cc1cc(CS(=O)(=O)N(CCC#N)c2ccccc2)no1.
What is the InChIKey of N-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide?
The InChIKey is IRDPANGCUKPIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-12-10-13(16-20-12)11-21(18,19)17(9-5-8-15)14-6-3-2-4-7-14/h2-4,6-7,10H,5,9,11H2,1H3.
What are the key properties of N-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide?
N-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide is sourced from PubChem (CID 30056480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).