3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide

C17H19N5O3S — CID 131889963

IUPAC3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNS(=O)(=O)c2cccc3nn(C)nc23)c1
InChIInChI=1S/C17H19N5O3S/c1-12-5-3-6-13(11-12)19-16(23)9-10-18-26(24,25)15-8-4-7-14-17(15)21-22(2)20-14/h3-8,11,18H,9-10H2,1-2H3,(H,19,23)
InChIKeyADEIFNJCLULQEK-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.58
Rot. Bonds6

About 3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide

3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide (PubChem CID 131889963) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide
PubChem CID131889963
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNS(=O)(=O)c2cccc3nn(C)nc23)c1
InChIInChI=1S/C17H19N5O3S/c1-12-5-3-6-13(11-12)19-16(23)9-10-18-26(24,25)15-8-4-7-14-17(15)21-22(2)20-14/h3-8,11,18H,9-10H2,1-2H3,(H,19,23)
InChIKeyADEIFNJCLULQEK-UHFFFAOYSA-N
XLogP1.58
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3-methylphenyl)propanamide
CID 3235802
N-(3-acetylphenyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanamide
CID 3239184
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(4-bromo-3-methylphenyl)propanamide
CID 4253315
3-[(2-chlorophenyl)sulfonylamino]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 55653308
3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 9340921
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(4-bromophenyl)propanamide
CID 4249631
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide
CID 15997562
N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639564
3-[(2-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)propanamide
CID 9245597
dimethyl 5-[3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanoylamino]benzene-1,3-dicarboxylate
CID 4243798
N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide
CID 3239240
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide (CID 131889963) is 3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCNS(=O)(=O)c2cccc3nn(C)nc23)c1.
What is the InChIKey of 3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide?
The InChIKey is ADEIFNJCLULQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-12-5-3-6-13(11-12)19-16(23)9-10-18-26(24,25)15-8-4-7-14-17(15)21-22(2)20-14/h3-8,11,18H,9-10H2,1-2H3,(H,19,23).
What are the key properties of 3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide?
3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide has a molecular weight of 373.44 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylbenzotriazol-4-yl)sulfonylamino]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 131889963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).