2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide

C19H21N5O3S — CID 121176289

IUPAC2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide
SMILESCc1cccc(S(=O)(=O)NCC(=O)NC(Cn2nccn2)c2ccccc2)c1
InChIInChI=1S/C19H21N5O3S/c1-15-6-5-9-17(12-15)28(26,27)22-13-19(25)23-18(14-24-20-10-11-21-24)16-7-3-2-4-8-16/h2-12,18,22H,13-14H2,1H3,(H,23,25)
InChIKeyIJVCWIUAZFIROR-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.42
Rot. Bonds8

About 2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide

2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide (PubChem CID 121176289) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide
PubChem CID121176289
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide
SMILESCc1cccc(S(=O)(=O)NCC(=O)NC(Cn2nccn2)c2ccccc2)c1
InChIInChI=1S/C19H21N5O3S/c1-15-6-5-9-17(12-15)28(26,27)22-13-19(25)23-18(14-24-20-10-11-21-24)16-7-3-2-4-8-16/h2-12,18,22H,13-14H2,1H3,(H,23,25)
InChIKeyIJVCWIUAZFIROR-UHFFFAOYSA-N
XLogP1.42
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
CID 121176264
3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121176531
N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
CID 121176333
N-butan-2-yl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112990843
N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
CID 121176209
3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 121176946
2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121176514
3-methyl-N-(2-oxopropyl)benzenesulfonamide
CID 64994475
2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide
CID 124761044
3-(4-fluoro-3-methylphenyl)-N-[1-phenyl-2-(triazol-2-yl)ethyl]propanamide
CID 121176314
N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112995022
3-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 110371205

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide (CID 121176289) is 2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide is Cc1cccc(S(=O)(=O)NCC(=O)NC(Cn2nccn2)c2ccccc2)c1.
What is the InChIKey of 2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide?
The InChIKey is IJVCWIUAZFIROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-15-6-5-9-17(12-15)28(26,27)22-13-19(25)23-18(14-24-20-10-11-21-24)16-7-3-2-4-8-16/h2-12,18,22H,13-14H2,1H3,(H,23,25).
What are the key properties of 2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide?
2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide has a molecular weight of 399.48 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 121176289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).