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

C23H32N4O3S — CID 112799751

IUPACN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
SMILESCN(CCc1ccccn1)CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C23H32N4O3S/c1-26(17-15-19-8-6-7-16-24-19)18-23(28)25-20-11-13-22(14-12-20)31(29,30)27(2)21-9-4-3-5-10-21/h6-8,11-14,16,21H,3-5,9-10,15,17-18H2,1-2H3,(H,25,28)
InChIKeyWDOITSNVUIXEKK-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.15
Rot. Bonds9

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

N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide (PubChem CID 112799751) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
PubChem CID112799751
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC NameN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
SMILESCN(CCc1ccccn1)CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C23H32N4O3S/c1-26(17-15-19-8-6-7-16-24-19)18-23(28)25-20-11-13-22(14-12-20)31(29,30)27(2)21-9-4-3-5-10-21/h6-8,11-14,16,21H,3-5,9-10,15,17-18H2,1-2H3,(H,25,28)
InChIKeyWDOITSNVUIXEKK-UHFFFAOYSA-N
XLogP3.15
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 17408677
3-(4-cyclopentylsulfonylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86988743
4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1266303
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 55409399
3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide
CID 17178988
2-(2-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 4924223
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide
CID 26906866
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 4924131
2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide
CID 3202163
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 112799744

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide?
The IUPAC name of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide (CID 112799751) is N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide.
What is the SMILES notation for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide?
The canonical SMILES for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide is CN(CCc1ccccn1)CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide?
The InChIKey is WDOITSNVUIXEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-26(17-15-19-8-6-7-16-24-19)18-23(28)25-20-11-13-22(14-12-20)31(29,30)27(2)21-9-4-3-5-10-21/h6-8,11-14,16,21H,3-5,9-10,15,17-18H2,1-2H3,(H,25,28).
What are the key properties of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide?
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide has a molecular weight of 444.60 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide is sourced from PubChem (CID 112799751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).