4-acetyl-N-(4-cyano-2-naphthalen-1-yl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide

C23H17N3O4S — CID 139582934

IUPAC4-acetyl-N-(4-cyano-2-naphthalen-1-yl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)c2oc(-c3cccc4ccccc34)nc2C#N)cc1
InChIInChI=1S/C23H17N3O4S/c1-15(27)16-10-12-18(13-11-16)31(28,29)26(2)23-21(14-24)25-22(30-23)20-9-5-7-17-6-3-4-8-19(17)20/h3-13H,1-2H3
InChIKeyGBWZYGRHWVBHNW-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.39
Rot. Bonds5

About 4-acetyl-N-(4-cyano-2-naphthalen-1-yl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide

4-acetyl-N-(4-cyano-2-naphthalen-1-yl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide (PubChem CID 139582934) has the molecular formula C23H17N3O4S and a molecular weight of 431.47 g/mol. Its IUPAC name is 4-acetyl-N-(4-cyano-2-naphthalen-1-yl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(4-cyano-2-naphthalen-1-yl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide
PubChem CID139582934
Molecular FormulaC23H17N3O4S
Molecular Weight431.47 g/mol
Exact Mass431.09
IUPAC Name4-acetyl-N-(4-cyano-2-naphthalen-1-yl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)c2oc(-c3cccc4ccccc34)nc2C#N)cc1
InChIInChI=1S/C23H17N3O4S/c1-15(27)16-10-12-18(13-11-16)31(28,29)26(2)23-21(14-24)25-22(30-23)20-9-5-7-17-6-3-4-8-19(17)20/h3-13H,1-2H3
InChIKeyGBWZYGRHWVBHNW-UHFFFAOYSA-N
XLogP4.39
TPSA104.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide
CID 154811070
N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 154811076
4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide
CID 78767045
4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide
CID 3781251
5-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
CID 35342753
4-acetyl-N,N-bis(cyanomethyl)benzenesulfonamide
CID 29050568
4-acetylbenzenesulfonyl chloride;4-acetyl-N,N-dimethylbenzenesulfonamide
CID 87987593
5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide
CID 56762398
4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 101406239
5-[2-(furan-2-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
CID 121402470
2-(2-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,3-oxazole-4-carbonitrile
CID 155942976
5-ethylsulfonyl-2-naphthalen-1-yl-1,3-benzoxazole
CID 53238599

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-cyano-2-naphthalen-1-yl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-(4-cyano-2-naphthalen-1-yl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide (CID 139582934) is 4-acetyl-N-(4-cyano-2-naphthalen-1-yl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(4-cyano-2-naphthalen-1-yl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(4-cyano-2-naphthalen-1-yl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N(C)c2oc(-c3cccc4ccccc34)nc2C#N)cc1.
What is the InChIKey of 4-acetyl-N-(4-cyano-2-naphthalen-1-yl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide?
The InChIKey is GBWZYGRHWVBHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4S/c1-15(27)16-10-12-18(13-11-16)31(28,29)26(2)23-21(14-24)25-22(30-23)20-9-5-7-17-6-3-4-8-19(17)20/h3-13H,1-2H3.
What are the key properties of 4-acetyl-N-(4-cyano-2-naphthalen-1-yl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide?
4-acetyl-N-(4-cyano-2-naphthalen-1-yl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide has a molecular weight of 431.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-cyano-2-naphthalen-1-yl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 139582934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).