N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide

C23H31N3O3S — CID 55409399

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C23H31N3O3S/c1-25(21-11-7-4-8-12-21)18-23(27)24-20-13-15-22(16-14-20)30(28,29)26(2)17-19-9-5-3-6-10-19/h3,5-6,9-10,13-16,21H,4,7-8,11-12,17-18H2,1-2H3,(H,24,27)
InChIKeyPWBOTSVSTJDUES-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.71
Rot. Bonds8

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide (PubChem CID 55409399) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide
PubChem CID55409399
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C23H31N3O3S/c1-25(21-11-7-4-8-12-21)18-23(27)24-20-13-15-22(16-14-20)30(28,29)26(2)17-19-9-5-3-6-10-19/h3,5-6,9-10,13-16,21H,4,7-8,11-12,17-18H2,1-2H3,(H,24,27)
InChIKeyPWBOTSVSTJDUES-UHFFFAOYSA-N
XLogP3.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 26583009
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 171668777
2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide
CID 3202163
2-(dibenzylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 18170938
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164
2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide
CID 46663203
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 3318426
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152498
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26899144

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide (CID 55409399) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide is CN(CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide?
The InChIKey is PWBOTSVSTJDUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-25(21-11-7-4-8-12-21)18-23(27)24-20-13-15-22(16-14-20)30(28,29)26(2)17-19-9-5-3-6-10-19/h3,5-6,9-10,13-16,21H,4,7-8,11-12,17-18H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide has a molecular weight of 429.59 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide is sourced from PubChem (CID 55409399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).