2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide

C17H18N2O4S — CID 110786930

IUPAC2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2ccc3oc(=O)n(C)c3c2)c1
InChIInChI=1S/C17H18N2O4S/c1-11-4-5-12(2)16(8-11)24(21,22)18-10-13-6-7-15-14(9-13)19(3)17(20)23-15/h4-9,18H,10H2,1-3H3
InChIKeyBMUXTPMBTJOSJI-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.23
Rot. Bonds4

About 2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide

2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 110786930) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
PubChem CID110786930
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2ccc3oc(=O)n(C)c3c2)c1
InChIInChI=1S/C17H18N2O4S/c1-11-4-5-12(2)16(8-11)24(21,22)18-10-13-6-7-15-14(9-13)19(3)17(20)23-15/h4-9,18H,10H2,1-3H3
InChIKeyBMUXTPMBTJOSJI-UHFFFAOYSA-N
XLogP2.23
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.23
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
2,5-dimethyl-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]benzenesulfonamide
CID 110730588
5-chloro-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 17139154
3,5-dimethyl-1,3-benzoxazol-2-one
CID 13117589
N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110786696
3,5-dimethyl-1,3-benzoxazol-2-one;methane
CID 160664134
5-[(2-aminoethylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 115195345
5-[(1,6-dimethyl-3-oxoindazol-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 167100639
4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]benzoic acid
CID 852333
5-[2-(dimethylsulfamoylamino)ethyl]-3-methyl-2-oxo-1,3-benzoxazole
CID 110792287
2,5-dimethyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 55464498
(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium
CID 143272906

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide (CID 110786930) is 2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCc2ccc3oc(=O)n(C)c3c2)c1.
What is the InChIKey of 2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is BMUXTPMBTJOSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-11-4-5-12(2)16(8-11)24(21,22)18-10-13-6-7-15-14(9-13)19(3)17(20)23-15/h4-9,18H,10H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide?
2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110786930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).