3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide

C21H33N3O4S — CID 56582986

IUPAC3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)CS(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C21H33N3O4S/c1-14(2)12-22-21(26)17-7-10-19(16(4)11-17)23-20(25)13-29(27,28)24-18-8-5-15(3)6-9-18/h7,10-11,14-15,18,24H,5-6,8-9,12-13H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyNZOVIAHPGHZUQF-UHFFFAOYSA-N
MW423.58 g/mol
LogP2.82
Rot. Bonds8

About 3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide

3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 56582986) has the molecular formula C21H33N3O4S and a molecular weight of 423.58 g/mol. Its IUPAC name is 3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID56582986
Molecular FormulaC21H33N3O4S
Molecular Weight423.58 g/mol
Exact Mass423.22
IUPAC Name3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)CS(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C21H33N3O4S/c1-14(2)12-22-21(26)17-7-10-19(16(4)11-17)23-20(25)13-29(27,28)24-18-8-5-15(3)6-9-18/h7,10-11,14-15,18,24H,5-6,8-9,12-13H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyNZOVIAHPGHZUQF-UHFFFAOYSA-N
XLogP2.82
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide
CID 56510951
3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
CID 86901347
(2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120628608
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49397345
N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119310041
2-[(4-methylcyclohexyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 56540098
N-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide
CID 111471383
3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 49340244
N-[2-(cycloheptylamino)ethyl]-3-methyl-4-(3-methylbutanoylamino)benzamide
CID 119621175
4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119310067
N-[2-(cycloheptylamino)ethyl]-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119621174

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide (CID 56582986) is 3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide is Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)CS(=O)(=O)NC1CCC(C)CC1.
What is the InChIKey of 3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is NZOVIAHPGHZUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4S/c1-14(2)12-22-21(26)17-7-10-19(16(4)11-17)23-20(25)13-29(27,28)24-18-8-5-15(3)6-9-18/h7,10-11,14-15,18,24H,5-6,8-9,12-13H2,1-4H3,(H,22,26)(H,23,25).
What are the key properties of 3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide?
3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 423.58 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 56582986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).