N-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide

C20H30N4O4S — CID 55626665

IUPACN-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide
SMILESCCOc1ccc(NCC(=O)N(C)C2(C#N)CCCCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H30N4O4S/c1-5-28-17-10-9-16(13-18(17)29(26,27)23(2)3)22-14-19(25)24(4)20(15-21)11-7-6-8-12-20/h9-10,13,22H,5-8,11-12,14H2,1-4H3
InChIKeyAKCXVWOUOPQNET-UHFFFAOYSA-N
MW422.55 g/mol
LogP2.43
Rot. Bonds8

About N-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide

N-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide (PubChem CID 55626665) has the molecular formula C20H30N4O4S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide
PubChem CID55626665
Molecular FormulaC20H30N4O4S
Molecular Weight422.55 g/mol
Exact Mass422.20
IUPAC NameN-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide
SMILESCCOc1ccc(NCC(=O)N(C)C2(C#N)CCCCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H30N4O4S/c1-5-28-17-10-9-16(13-18(17)29(26,27)23(2)3)22-14-19(25)24(4)20(15-21)11-7-6-8-12-20/h9-10,13,22H,5-8,11-12,14H2,1-4H3
InChIKeyAKCXVWOUOPQNET-UHFFFAOYSA-N
XLogP2.43
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide
CID 37218709
N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide
CID 51259733
diethyl 5-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]amino]benzene-1,3-dicarboxylate
CID 55436854
5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 8840824
2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide
CID 36587541
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide
CID 25333324
2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-phenyl-N-prop-2-enylacetamide
CID 25333155
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
CID 119693192
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide
CID 55565700
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide (CID 55626665) is N-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide is CCOc1ccc(NCC(=O)N(C)C2(C#N)CCCCC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide?
The InChIKey is AKCXVWOUOPQNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4S/c1-5-28-17-10-9-16(13-18(17)29(26,27)23(2)3)22-14-19(25)24(4)20(15-21)11-7-6-8-12-20/h9-10,13,22H,5-8,11-12,14H2,1-4H3.
What are the key properties of N-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide?
N-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide has a molecular weight of 422.55 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide is sourced from PubChem (CID 55626665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).