4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide

C22H33N3O3S — CID 8503773

IUPAC4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CSCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C22H33N3O3S/c1-4-25(5-2)22(28)17-11-13-18(14-12-17)23-20(26)15-29-16-21(27)24(3)19-9-7-6-8-10-19/h11-14,19H,4-10,15-16H2,1-3H3,(H,23,26)
InChIKeyIYOUFTQKWLLCOZ-UHFFFAOYSA-N
MW419.59 g/mol
LogP3.63
Rot. Bonds9

About 4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide

4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide (PubChem CID 8503773) has the molecular formula C22H33N3O3S and a molecular weight of 419.59 g/mol. Its IUPAC name is 4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide
PubChem CID8503773
Molecular FormulaC22H33N3O3S
Molecular Weight419.59 g/mol
Exact Mass419.22
IUPAC Name4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CSCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C22H33N3O3S/c1-4-25(5-2)22(28)17-11-13-18(14-12-17)23-20(26)15-29-16-21(27)24(3)19-9-7-6-8-10-19/h11-14,19H,4-10,15-16H2,1-3H3,(H,23,26)
InChIKeyIYOUFTQKWLLCOZ-UHFFFAOYSA-N
XLogP3.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide with MolForge

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Related Compounds

4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide
CID 8705826
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide
CID 8762225
2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 134060817
2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 32916537
(2-anilino-2-oxoethyl) 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate
CID 7739318
N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride
CID 119743408
4-[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N,N-diethylbenzamide
CID 7817741
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
[2-(4-nitroanilino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate
CID 7739342
2-[2-[ethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 47074506
N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54843789
4-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]amino]-N,N-diethylbenzamide
CID 9047770

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide (CID 8503773) is 4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)CSCC(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of 4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide?
The InChIKey is IYOUFTQKWLLCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3S/c1-4-25(5-2)22(28)17-11-13-18(14-12-17)23-20(26)15-29-16-21(27)24(3)19-9-7-6-8-10-19/h11-14,19H,4-10,15-16H2,1-3H3,(H,23,26).
What are the key properties of 4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide?
4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide has a molecular weight of 419.59 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 8503773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).