N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide

C18H28N2O3S — CID 113138969

IUPACN-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide
SMILESCc1ccc(CN(CCC(=O)NC2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H28N2O3S/c1-15-8-10-16(11-9-15)14-20(24(2,22)23)13-12-18(21)19-17-6-4-3-5-7-17/h8-11,17H,3-7,12-14H2,1-2H3,(H,19,21)
InChIKeyGCAINKVJGSFZKE-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.60
Rot. Bonds7

About N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide

N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide (PubChem CID 113138969) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide
PubChem CID113138969
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide
SMILESCc1ccc(CN(CCC(=O)NC2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H28N2O3S/c1-15-8-10-16(11-9-15)14-20(24(2,22)23)13-12-18(21)19-17-6-4-3-5-7-17/h8-11,17H,3-7,12-14H2,1-2H3,(H,19,21)
InChIKeyGCAINKVJGSFZKE-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140010
N-cyclohexyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126009784
N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151240
N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113138968
N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138741
N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138370
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide
CID 126077296
3-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)propanamide
CID 113138964
N-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129266
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 1072746
N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129262
N-cyclohexyl-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136251

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide?
The IUPAC name of N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide (CID 113138969) is N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide is Cc1ccc(CN(CCC(=O)NC2CCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide?
The InChIKey is GCAINKVJGSFZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-15-8-10-16(11-9-15)14-20(24(2,22)23)13-12-18(21)19-17-6-4-3-5-7-17/h8-11,17H,3-7,12-14H2,1-2H3,(H,19,21).
What are the key properties of N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide?
N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide has a molecular weight of 352.50 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113138969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).