3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

C18H17N3O4S — CID 37040498

IUPAC3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)ccc2o1
InChIInChI=1S/C18H17N3O4S/c1-11-19-16-10-14(7-8-17(16)25-11)20-18(22)12-3-2-4-15(9-12)26(23,24)21-13-5-6-13/h2-4,7-10,13,21H,5-6H2,1H3,(H,20,22)
InChIKeyKXDZASVUZKWHQG-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.83
Rot. Bonds5

About 3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 37040498) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
PubChem CID37040498
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)ccc2o1
InChIInChI=1S/C18H17N3O4S/c1-11-19-16-10-14(7-8-17(16)25-11)20-18(22)12-3-2-4-15(9-12)26(23,24)21-13-5-6-13/h2-4,7-10,13,21H,5-6H2,1H3,(H,20,22)
InChIKeyKXDZASVUZKWHQG-UHFFFAOYSA-N
XLogP2.83
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 37021657
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26698278
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide
CID 34303593
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607
3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26718017
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 34303904
3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 86846328
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26698015
3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
CID 30858539
N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 39851862

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (CID 37040498) is 3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)ccc2o1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is KXDZASVUZKWHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-11-19-16-10-14(7-8-17(16)25-11)20-18(22)12-3-2-4-15(9-12)26(23,24)21-13-5-6-13/h2-4,7-10,13,21H,5-6H2,1H3,(H,20,22).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 371.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 37040498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).