2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C20H33N3O3S — CID 56570187

IUPAC2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CNC2CCCCC2C(C)(C)C)c1
InChIInChI=1S/C20H33N3O3S/c1-20(2,3)17-11-6-7-12-18(17)21-14-19(24)22-15-9-8-10-16(13-15)27(25,26)23(4)5/h8-10,13,17-18,21H,6-7,11-12,14H2,1-5H3,(H,22,24)
InChIKeyHFDLDLMOZOWKHF-UHFFFAOYSA-N
MW395.57 g/mol
LogP3.07
Rot. Bonds6

About 2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 56570187) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is 2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID56570187
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC Name2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CNC2CCCCC2C(C)(C)C)c1
InChIInChI=1S/C20H33N3O3S/c1-20(2,3)17-11-6-7-12-18(17)21-14-19(24)22-15-9-8-10-16(13-15)27(25,26)23(4)5/h8-10,13,17-18,21H,6-7,11-12,14H2,1-5H3,(H,22,24)
InChIKeyHFDLDLMOZOWKHF-UHFFFAOYSA-N
XLogP3.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 56542928
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119672943
4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 24819422
2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8763703
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8705717
2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 56570222
N-(3,5-dimethylphenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 4879510
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103
2-(azepan-1-ium-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8895996
2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9098781
N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 9084347

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 56570187) is 2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CNC2CCCCC2C(C)(C)C)c1.
What is the InChIKey of 2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is HFDLDLMOZOWKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-20(2,3)17-11-6-7-12-18(17)21-14-19(24)22-15-9-8-10-16(13-15)27(25,26)23(4)5/h8-10,13,17-18,21H,6-7,11-12,14H2,1-5H3,(H,22,24).
What are the key properties of 2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 395.57 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 56570187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).