N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide

C17H24N4O2S — CID 126841359

IUPACN-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide
SMILESCS(C)(=O)=Nc1ccccc1NCC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C17H24N4O2S/c1-24(2,23)21-15-9-5-4-8-14(15)19-12-16(22)20-17(13-18)10-6-3-7-11-17/h4-5,8-9,19H,3,6-7,10-12H2,1-2H3,(H,20,22)
InChIKeyGFXCLXCMSAPHPB-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.80
Rot. Bonds5

About N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide

N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide (PubChem CID 126841359) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide
PubChem CID126841359
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide
SMILESCS(C)(=O)=Nc1ccccc1NCC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C17H24N4O2S/c1-24(2,23)21-15-9-5-4-8-14(15)19-12-16(22)20-17(13-18)10-6-3-7-11-17/h4-5,8-9,19H,3,6-7,10-12H2,1-2H3,(H,20,22)
InChIKeyGFXCLXCMSAPHPB-UHFFFAOYSA-N
XLogP2.80
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide
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N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide
CID 32908656
N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide
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N-(1-cyanocycloheptyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 46534675
N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide
CID 55532584
N-(1-cyanocyclopentyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 26542850
N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296
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CID 26507758

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide (CID 126841359) is N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide is CS(C)(=O)=Nc1ccccc1NCC(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide?
The InChIKey is GFXCLXCMSAPHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-24(2,23)21-15-9-5-4-8-14(15)19-12-16(22)20-17(13-18)10-6-3-7-11-17/h4-5,8-9,19H,3,6-7,10-12H2,1-2H3,(H,20,22).
What are the key properties of N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide?
N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide has a molecular weight of 348.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]acetamide is sourced from PubChem (CID 126841359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).