4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide

C16H23NO3S — CID 77090043

IUPAC4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide
SMILESCOC1CCC(NC(=O)c2ccc(SCCO)cc2)CC1
InChIInChI=1S/C16H23NO3S/c1-20-14-6-4-13(5-7-14)17-16(19)12-2-8-15(9-3-12)21-11-10-18/h2-3,8-9,13-14,18H,4-7,10-11H2,1H3,(H,17,19)
InChIKeyXLALTGFSAQPMBF-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.46
Rot. Bonds6

About 4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide

4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide (PubChem CID 77090043) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide
PubChem CID77090043
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide
SMILESCOC1CCC(NC(=O)c2ccc(SCCO)cc2)CC1
InChIInChI=1S/C16H23NO3S/c1-20-14-6-4-13(5-7-14)17-16(19)12-2-8-15(9-3-12)21-11-10-18/h2-3,8-9,13-14,18H,4-7,10-11H2,1H3,(H,17,19)
InChIKeyXLALTGFSAQPMBF-UHFFFAOYSA-N
XLogP2.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91762413
2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid
CID 136556476
N-cyclopropyl-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813653
bis[4-(2-hydroxyethylsulfanyl)phenyl]methanone
CID 139889222
N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide
CID 79217136
N-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide
CID 163306992
N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide
CID 92677205
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
N-cyclohexyl-4-methylsulfanylbenzamide
CID 60645846
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113
1,2-bis[4-(2-hydroxyethylsulfanyl)phenyl]-2,2-dimethoxyethanone
CID 59816654
N-cyclopropyl-4-[(E)-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]benzamide
CID 35551214

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide (CID 77090043) is 4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide is COC1CCC(NC(=O)c2ccc(SCCO)cc2)CC1.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide?
The InChIKey is XLALTGFSAQPMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-20-14-6-4-13(5-7-14)17-16(19)12-2-8-15(9-3-12)21-11-10-18/h2-3,8-9,13-14,18H,4-7,10-11H2,1H3,(H,17,19).
What are the key properties of 4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide?
4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide has a molecular weight of 309.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide is sourced from PubChem (CID 77090043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).