4-(cyclobutylsulfamoyl)-N-[(2S)-1-(3-methoxyphenyl)hexan-2-yl]benzamide

C24H32N2O4S — CID 155125219

IUPAC4-(cyclobutylsulfamoyl)-N-[(2S)-1-(3-methoxyphenyl)hexan-2-yl]benzamide
SMILESCCCC[C@@H](Cc1cccc(OC)c1)NC(=O)c1ccc(S(=O)(=O)NC2CCC2)cc1
InChIInChI=1S/C24H32N2O4S/c1-3-4-8-21(16-18-7-5-11-22(17-18)30-2)25-24(27)19-12-14-23(15-13-19)31(28,29)26-20-9-6-10-20/h5,7,11-15,17,20-21,26H,3-4,6,8-10,16H2,1-2H3,(H,25,27)/t21-/m0/s1
InChIKeyIYWJGYVPJYGTOQ-NRFANRHFSA-N
MW444.60 g/mol
LogP4.06
Rot. Bonds11

About 4-(cyclobutylsulfamoyl)-N-[(2S)-1-(3-methoxyphenyl)hexan-2-yl]benzamide

4-(cyclobutylsulfamoyl)-N-[(2S)-1-(3-methoxyphenyl)hexan-2-yl]benzamide (PubChem CID 155125219) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is 4-(cyclobutylsulfamoyl)-N-[(2S)-1-(3-methoxyphenyl)hexan-2-yl]benzamide.

Molecular Properties

Compound Name4-(cyclobutylsulfamoyl)-N-[(2S)-1-(3-methoxyphenyl)hexan-2-yl]benzamide
PubChem CID155125219
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC Name4-(cyclobutylsulfamoyl)-N-[(2S)-1-(3-methoxyphenyl)hexan-2-yl]benzamide
SMILESCCCC[C@@H](Cc1cccc(OC)c1)NC(=O)c1ccc(S(=O)(=O)NC2CCC2)cc1
InChIInChI=1S/C24H32N2O4S/c1-3-4-8-21(16-18-7-5-11-22(17-18)30-2)25-24(27)19-12-14-23(15-13-19)31(28,29)26-20-9-6-10-20/h5,7,11-15,17,20-21,26H,3-4,6,8-10,16H2,1-2H3,(H,25,27)/t21-/m0/s1
InChIKeyIYWJGYVPJYGTOQ-NRFANRHFSA-N
XLogP4.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide
CID 171053918
N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119665887
N-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide
CID 175696800
4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide
CID 49391044
4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 109058710
4-(cyclohexylsulfamoyl)-N-pentylbenzamide
CID 109059553
2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide
CID 10365607
4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55713773
N-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 55953705
4-[(1S,3S)-3-butyl-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-cyclobutylbenzenesulfonamide
CID 155125288
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
4-(cyclopropylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 17496941

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylsulfamoyl)-N-[(2S)-1-(3-methoxyphenyl)hexan-2-yl]benzamide?
The IUPAC name of 4-(cyclobutylsulfamoyl)-N-[(2S)-1-(3-methoxyphenyl)hexan-2-yl]benzamide (CID 155125219) is 4-(cyclobutylsulfamoyl)-N-[(2S)-1-(3-methoxyphenyl)hexan-2-yl]benzamide.
What is the SMILES notation for 4-(cyclobutylsulfamoyl)-N-[(2S)-1-(3-methoxyphenyl)hexan-2-yl]benzamide?
The canonical SMILES for 4-(cyclobutylsulfamoyl)-N-[(2S)-1-(3-methoxyphenyl)hexan-2-yl]benzamide is CCCC[C@@H](Cc1cccc(OC)c1)NC(=O)c1ccc(S(=O)(=O)NC2CCC2)cc1.
What is the InChIKey of 4-(cyclobutylsulfamoyl)-N-[(2S)-1-(3-methoxyphenyl)hexan-2-yl]benzamide?
The InChIKey is IYWJGYVPJYGTOQ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-3-4-8-21(16-18-7-5-11-22(17-18)30-2)25-24(27)19-12-14-23(15-13-19)31(28,29)26-20-9-6-10-20/h5,7,11-15,17,20-21,26H,3-4,6,8-10,16H2,1-2H3,(H,25,27)/t21-/m0/s1.
What are the key properties of 4-(cyclobutylsulfamoyl)-N-[(2S)-1-(3-methoxyphenyl)hexan-2-yl]benzamide?
4-(cyclobutylsulfamoyl)-N-[(2S)-1-(3-methoxyphenyl)hexan-2-yl]benzamide has a molecular weight of 444.60 g/mol, XLogP of 4.06, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylsulfamoyl)-N-[(2S)-1-(3-methoxyphenyl)hexan-2-yl]benzamide is sourced from PubChem (CID 155125219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).