N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide

C17H18N2O4S — CID 110786696

IUPACN-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C17H18N2O4S/c1-12-3-5-13(6-4-12)11-24(21,22)18-10-14-7-8-15-16(9-14)23-17(20)19(15)2/h3-9,18H,10-11H2,1-2H3
InChIKeyRKXYUTLJOOXFNV-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.06
Rot. Bonds5

About N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide

N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 110786696) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID110786696
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C17H18N2O4S/c1-12-3-5-13(6-4-12)11-24(21,22)18-10-14-7-8-15-16(9-14)23-17(20)19(15)2/h3-9,18H,10-11H2,1-2H3
InChIKeyRKXYUTLJOOXFNV-UHFFFAOYSA-N
XLogP2.06
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide
CID 110786920
N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110785872
2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786930
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110730616
N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-2-oxopropanamide
CID 115175681
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methylamino]-2-oxoacetic acid
CID 115141348
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)acetamide
CID 110662181
3-methyl-N-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-benzoxazole-6-sulfonamide
CID 20969632
3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methylamino]-3-oxopropanoic acid
CID 115163423
3-methyl-6-[(3-oxobutylamino)methyl]-1,3-benzoxazol-2-one
CID 115235713
3-chloro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]propanamide
CID 115162532
3,3-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786656

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide (CID 110786696) is N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)NCc2ccc3c(c2)oc(=O)n3C)cc1.
What is the InChIKey of N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is RKXYUTLJOOXFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12-3-5-13(6-4-12)11-24(21,22)18-10-14-7-8-15-16(9-14)23-17(20)19(15)2/h3-9,18H,10-11H2,1-2H3.
What are the key properties of N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide?
N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110786696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).