1-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]methanesulfonamide

C19H22N2O3S — CID 167944257

IUPAC1-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]methanesulfonamide
SMILESCc1ccc(CC(C)NS(=O)(=O)Cc2noc3ccccc23)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-13-8-9-16(14(2)10-13)11-15(3)21-25(22,23)12-18-17-6-4-5-7-19(17)24-20-18/h4-10,15,21H,11-12H2,1-3H3
InChIKeyZASDQRHBOXHAAN-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.50
Rot. Bonds6

About 1-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]methanesulfonamide (PubChem CID 167944257) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]methanesulfonamide
PubChem CID167944257
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]methanesulfonamide
SMILESCc1ccc(CC(C)NS(=O)(=O)Cc2noc3ccccc23)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-13-8-9-16(14(2)10-13)11-15(3)21-25(22,23)12-18-17-6-4-5-7-19(17)24-20-18/h4-10,15,21H,11-12H2,1-3H3
InChIKeyZASDQRHBOXHAAN-UHFFFAOYSA-N
XLogP3.50
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]methanesulfonamide (CID 167944257) is 1-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]methanesulfonamide is Cc1ccc(CC(C)NS(=O)(=O)Cc2noc3ccccc23)c(C)c1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]methanesulfonamide?
The InChIKey is ZASDQRHBOXHAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-8-9-16(14(2)10-13)11-15(3)21-25(22,23)12-18-17-6-4-5-7-19(17)24-20-18/h4-10,15,21H,11-12H2,1-3H3.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]methanesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 167944257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).