N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide

C20H22N2O4S — CID 154073643

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C)c(-c3c(C)noc3C)c2)cc1
InChIInChI=1S/C20H22N2O4S/c1-13-6-7-16(12-19(13)20-14(2)21-26-15(20)3)22(4)27(23,24)18-10-8-17(25-5)9-11-18/h6-12H,1-5H3
InChIKeyNFFKIGVDWWEQAI-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.10
Rot. Bonds5

About N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 154073643) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide
PubChem CID154073643
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C)c(-c3c(C)noc3C)c2)cc1
InChIInChI=1S/C20H22N2O4S/c1-13-6-7-16(12-19(13)20-14(2)21-26-15(20)3)22(4)27(23,24)18-10-8-17(25-5)9-11-18/h6-12H,1-5H3
InChIKeyNFFKIGVDWWEQAI-UHFFFAOYSA-N
XLogP4.10
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94622750
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208
N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide
CID 46833327
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 18079652
N,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide
CID 46831772
N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide
CID 110869229
N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide
CID 166311152
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-(3-methylphenyl)benzenesulfonamide
CID 53054316
N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
CID 113094889
2-chloro-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzoic acid
CID 100552922
4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709
N-(2,6-dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1260716

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide (CID 154073643) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C)c(-c3c(C)noc3C)c2)cc1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is NFFKIGVDWWEQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13-6-7-16(12-19(13)20-14(2)21-26-15(20)3)22(4)27(23,24)18-10-8-17(25-5)9-11-18/h6-12H,1-5H3.
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 154073643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).