N,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide

C21H32N2O2S — CID 55983584

IUPACN,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)CSCc2ccc(C)cc2)CCCCC1
InChIInChI=1S/C21H32N2O2S/c1-4-23(5-2)20(25)21(13-7-6-8-14-21)22-19(24)16-26-15-18-11-9-17(3)10-12-18/h9-12H,4-8,13-16H2,1-3H3,(H,22,24)
InChIKeyCHYNMNZGWGWGAK-UHFFFAOYSA-N
MW376.57 g/mol
LogP3.92
Rot. Bonds8

About N,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide

N,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide (PubChem CID 55983584) has the molecular formula C21H32N2O2S and a molecular weight of 376.57 g/mol. Its IUPAC name is N,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide
PubChem CID55983584
Molecular FormulaC21H32N2O2S
Molecular Weight376.57 g/mol
Exact Mass376.22
IUPAC NameN,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)CSCc2ccc(C)cc2)CCCCC1
InChIInChI=1S/C21H32N2O2S/c1-4-23(5-2)20(25)21(13-7-6-8-14-21)22-19(24)16-26-15-18-11-9-17(3)10-12-18/h9-12H,4-8,13-16H2,1-3H3,(H,22,24)
InChIKeyCHYNMNZGWGWGAK-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 62520044
1-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylcyclohexane-1-carboxamide
CID 55981090
N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 60629714
1-[[2-[(3,5-dimethylphenyl)methylsulfanyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 118790500
1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride
CID 119300648
N,N-diethyl-1-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]cyclohexane-1-carboxamide
CID 55980445
N,N-diethyl-1-(3-pyridin-3-ylpropanoylamino)cyclohexane-1-carboxamide
CID 86821414
1-[(2-benzylsulfanylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81158714
1-[[2-(4-methylphenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43341572
1-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide
CID 55983329
N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 40613910
4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide
CID 55979927

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide (CID 55983584) is N,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide is CCN(CC)C(=O)C1(NC(=O)CSCc2ccc(C)cc2)CCCCC1.
What is the InChIKey of N,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide?
The InChIKey is CHYNMNZGWGWGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2S/c1-4-23(5-2)20(25)21(13-7-6-8-14-21)22-19(24)16-26-15-18-11-9-17(3)10-12-18/h9-12H,4-8,13-16H2,1-3H3,(H,22,24).
What are the key properties of N,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide?
N,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide has a molecular weight of 376.57 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 55983584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).