2-[(4-methylcyclohexyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

C20H29N5O3S — CID 56540098

IUPAC2-[(4-methylcyclohexyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCC1CCC(NS(=O)(=O)CC(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)CC1
InChIInChI=1S/C20H29N5O3S/c1-13(2)19-22-20(24-23-19)16-6-4-5-7-17(16)21-18(26)12-29(27,28)25-15-10-8-14(3)9-11-15/h4-7,13-15,25H,8-12H2,1-3H3,(H,21,26)(H,22,23,24)
InChIKeyFRTRNVHRQWFGBP-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.03
Rot. Bonds7

About 2-[(4-methylcyclohexyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

2-[(4-methylcyclohexyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide (PubChem CID 56540098) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
PubChem CID56540098
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC Name2-[(4-methylcyclohexyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCC1CCC(NS(=O)(=O)CC(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)CC1
InChIInChI=1S/C20H29N5O3S/c1-13(2)19-22-20(24-23-19)16-6-4-5-7-17(16)21-18(26)12-29(27,28)25-15-10-8-14(3)9-11-15/h4-7,13-15,25H,8-12H2,1-3H3,(H,21,26)(H,22,23,24)
InChIKeyFRTRNVHRQWFGBP-UHFFFAOYSA-N
XLogP3.03
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide;hydrochloride
CID 119737134
1-methyl-6-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 51090865
N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]acetamide
CID 167839928
(2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119296859
1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 154841515
N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 60559768
3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 56582986
3-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119737126
2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 55981359
3-(2,4-dimethylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 55980333
1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 60559874
ethyl 2-phenyl-3-[[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]-3,4-dihydropyrazole-5-carboxylate
CID 56540066

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-[(4-methylcyclohexyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide (CID 56540098) is 2-[(4-methylcyclohexyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-methylcyclohexyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4-methylcyclohexyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide is CC1CCC(NS(=O)(=O)CC(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The InChIKey is FRTRNVHRQWFGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-13(2)19-22-20(24-23-19)16-6-4-5-7-17(16)21-18(26)12-29(27,28)25-15-10-8-14(3)9-11-15/h4-7,13-15,25H,8-12H2,1-3H3,(H,21,26)(H,22,23,24).
What are the key properties of 2-[(4-methylcyclohexyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
2-[(4-methylcyclohexyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide has a molecular weight of 419.55 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 56540098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).