N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide

C18H19N3O4S — CID 34303904

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(S(=O)(=O)NC(C)C)cc3)ccc2o1
InChIInChI=1S/C18H19N3O4S/c1-11(2)21-26(23,24)15-7-4-13(5-8-15)18(22)20-14-6-9-17-16(10-14)19-12(3)25-17/h4-11,21H,1-3H3,(H,20,22)
InChIKeyCPLMPEKWGHQXPF-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.08
Rot. Bonds5

About N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide

N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 34303904) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID34303904
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(S(=O)(=O)NC(C)C)cc3)ccc2o1
InChIInChI=1S/C18H19N3O4S/c1-11(2)21-26(23,24)15-7-4-13(5-8-15)18(22)20-14-6-9-17-16(10-14)19-12(3)25-17/h4-11,21H,1-3H3,(H,20,22)
InChIKeyCPLMPEKWGHQXPF-UHFFFAOYSA-N
XLogP3.08
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1,3-benzoxazol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 37040634
4-(2-cyanoethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34304039
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 26684004
4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 9240650
4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401839
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26698015
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34304149
(2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 24576018

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide (CID 34303904) is N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide is Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)NC(C)C)cc3)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is CPLMPEKWGHQXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-11(2)21-26(23,24)15-7-4-13(5-8-15)18(22)20-14-6-9-17-16(10-14)19-12(3)25-17/h4-11,21H,1-3H3,(H,20,22).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 373.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 34303904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).