N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide

C19H30N2O5S — CID 55913304

IUPACN-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2)cc1OCC
InChIInChI=1S/C19H30N2O5S/c1-3-25-17-11-10-16(14-18(17)26-4-2)27(23,24)20-13-12-19(22)21-15-8-6-5-7-9-15/h10-11,14-15,20H,3-9,12-13H2,1-2H3,(H,21,22)
InChIKeyDEUPMUZJVCPCQZ-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.60
Rot. Bonds10

About N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide

N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide (PubChem CID 55913304) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide
PubChem CID55913304
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC NameN-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2)cc1OCC
InChIInChI=1S/C19H30N2O5S/c1-3-25-17-11-10-16(14-18(17)26-4-2)27(23,24)20-13-12-19(22)21-15-8-6-5-7-9-15/h10-11,14-15,20H,3-9,12-13H2,1-2H3,(H,21,22)
InChIKeyDEUPMUZJVCPCQZ-UHFFFAOYSA-N
XLogP2.60
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
CID 119428153
2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride
CID 119424877
[2-(cyclooctylamino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3639542
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
CID 18159331
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
N-cyclopropyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanamide
CID 9165497
N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
CID 46258690
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]propanamide
CID 56569415
N-cyclohexyl-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 46275014
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide (CID 55913304) is N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2)cc1OCC.
What is the InChIKey of N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is DEUPMUZJVCPCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-3-25-17-11-10-16(14-18(17)26-4-2)27(23,24)20-13-12-19(22)21-15-8-6-5-7-9-15/h10-11,14-15,20H,3-9,12-13H2,1-2H3,(H,21,22).
What are the key properties of N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide?
N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 398.53 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55913304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).