N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide

C19H28N2O3S — CID 51121339

IUPACN-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide
SMILESCOCCSCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C19H28N2O3S/c1-14-12-15(19(23)20-16-6-4-3-5-7-16)8-9-17(14)21-18(22)13-25-11-10-24-2/h8-9,12,16H,3-7,10-11,13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyOQSITPNQRFEWEL-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.38
Rot. Bonds8

About N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide

N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide (PubChem CID 51121339) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide
PubChem CID51121339
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide
SMILESCOCCSCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C19H28N2O3S/c1-14-12-15(19(23)20-16-6-4-3-5-7-16)8-9-17(14)21-18(22)13-25-11-10-24-2/h8-9,12,16H,3-7,10-11,13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyOQSITPNQRFEWEL-UHFFFAOYSA-N
XLogP3.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate
CID 51121340
N-cyclopentyl-3-methyl-4-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzamide
CID 48666286
4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide
CID 119283103
N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119711987
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride
CID 119305977
N-cyclohexyl-4-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbenzamide
CID 55879424
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
N-cyclohexyl-3-methyl-4-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzamide
CID 55879039
N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide
CID 55917998

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide?
The IUPAC name of N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide (CID 51121339) is N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide?
The canonical SMILES for N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide is COCCSCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1C.
What is the InChIKey of N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide?
The InChIKey is OQSITPNQRFEWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-14-12-15(19(23)20-16-6-4-3-5-7-16)8-9-17(14)21-18(22)13-25-11-10-24-2/h8-9,12,16H,3-7,10-11,13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide?
N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide has a molecular weight of 364.51 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide is sourced from PubChem (CID 51121339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).