4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide

C19H28N2O2S — CID 8705826

IUPAC4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CSC2CCCCC2)cc1
InChIInChI=1S/C19H28N2O2S/c1-3-21(4-2)19(23)15-10-12-16(13-11-15)20-18(22)14-24-17-8-6-5-7-9-17/h10-13,17H,3-9,14H2,1-2H3,(H,20,22)
InChIKeyNRXYUYHMRPDEBU-UHFFFAOYSA-N
MW348.51 g/mol
LogP4.17
Rot. Bonds7

About 4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide

4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide (PubChem CID 8705826) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide
PubChem CID8705826
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CSC2CCCCC2)cc1
InChIInChI=1S/C19H28N2O2S/c1-3-21(4-2)19(23)15-10-12-16(13-11-15)20-18(22)14-24-17-8-6-5-7-9-17/h10-13,17H,3-9,14H2,1-2H3,(H,20,22)
InChIKeyNRXYUYHMRPDEBU-UHFFFAOYSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]amino]-N,N-diethylbenzamide
CID 9047770
4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide
CID 8503773
2-cyclohexylsulfanyl-N-(4-fluorophenyl)acetamide
CID 734043
2-cyclohexylsulfanyl-N-phenylacetamide
CID 23932731
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671
4-[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N,N-diethylbenzamide
CID 7817741
N,N-diethyl-4-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78908465
N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54843789
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54815634
N,N-diethyl-4-[[2-(1-hydroxycyclopentyl)acetyl]amino]benzamide
CID 111432194
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide (CID 8705826) is 4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)CSC2CCCCC2)cc1.
What is the InChIKey of 4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide?
The InChIKey is NRXYUYHMRPDEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-3-21(4-2)19(23)15-10-12-16(13-11-15)20-18(22)14-24-17-8-6-5-7-9-17/h10-13,17H,3-9,14H2,1-2H3,(H,20,22).
What are the key properties of 4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide?
4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide has a molecular weight of 348.51 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide is sourced from PubChem (CID 8705826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).