N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide

C19H30N2O4S — CID 36521100

IUPACN-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)N(C)CC2CCCCC2)cc1
InChIInChI=1S/C19H30N2O4S/c1-3-25-17-9-11-18(12-10-17)26(23,24)20-14-13-19(22)21(2)15-16-7-5-4-6-8-16/h9-12,16,20H,3-8,13-15H2,1-2H3
InChIKeyJOBWIYAJAULRLA-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.79
Rot. Bonds9

About N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide

N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 36521100) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
PubChem CID36521100
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC NameN-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)N(C)CC2CCCCC2)cc1
InChIInChI=1S/C19H30N2O4S/c1-3-25-17-9-11-18(12-10-17)26(23,24)20-14-13-19(22)21(2)15-16-7-5-4-6-8-16/h9-12,16,20H,3-8,13-15H2,1-2H3
InChIKeyJOBWIYAJAULRLA-UHFFFAOYSA-N
XLogP2.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide
CID 78843826
N-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 119656064
[2-(cyclooctylamino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3639542
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
CID 18159331
N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride
CID 119660473
N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 26622464
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145158
N-[2-(aminomethyl)cyclohexyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide;hydrochloride
CID 119611787
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3948557
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119412585

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide (CID 36521100) is N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)N(C)CC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is JOBWIYAJAULRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-3-25-17-9-11-18(12-10-17)26(23,24)20-14-13-19(22)21(2)15-16-7-5-4-6-8-16/h9-12,16,20H,3-8,13-15H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide?
N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 382.53 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 36521100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).