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

C19H19N3O4S — CID 37021657

IUPAC3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)ccc2o1
InChIInChI=1S/C19H19N3O4S/c1-12-21-17-10-15(7-8-18(17)26-12)22-19(23)14-3-2-4-16(9-14)27(24,25)20-11-13-5-6-13/h2-4,7-10,13,20H,5-6,11H2,1H3,(H,22,23)
InChIKeyLFMMSBMJQKGVPJ-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.08
Rot. Bonds6

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

3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 37021657) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
PubChem CID37021657
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)ccc2o1
InChIInChI=1S/C19H19N3O4S/c1-12-21-17-10-15(7-8-18(17)26-12)22-19(23)14-3-2-4-16(9-14)27(24,25)20-11-13-5-6-13/h2-4,7-10,13,20H,5-6,11H2,1H3,(H,22,23)
InChIKeyLFMMSBMJQKGVPJ-UHFFFAOYSA-N
XLogP3.08
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 37040498
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26698278
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 37004365
N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide
CID 36991894
N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37005243
3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617470
3-acetyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786455
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide
CID 34303593
2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 119351789
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 37040634
N-[4-(azepan-1-yl)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 55597646

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (CID 37021657) is 3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)ccc2o1.
What is the InChIKey of 3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is LFMMSBMJQKGVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12-21-17-10-15(7-8-18(17)26-12)22-19(23)14-3-2-4-16(9-14)27(24,25)20-11-13-5-6-13/h2-4,7-10,13,20H,5-6,11H2,1H3,(H,22,23).
What are the key properties of 3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 385.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 37021657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).