N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride

C18H32ClN3O4S — CID 119660473

IUPACN-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)N(C)CCC(N)C(C)C)cc1.Cl
InChIInChI=1S/C18H31N3O4S.ClH/c1-5-25-15-6-8-16(9-7-15)26(23,24)20-12-10-18(22)21(4)13-11-17(19)14(2)3;/h6-9,14,17,20H,5,10-13,19H2,1-4H3;1H
InChIKeyVOCYIYGABTYLIJ-UHFFFAOYSA-N
MW421.99 g/mol
LogP2.01
Rot. Bonds11

About N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride

N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride (PubChem CID 119660473) has the molecular formula C18H32ClN3O4S and a molecular weight of 421.99 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride
PubChem CID119660473
Molecular FormulaC18H32ClN3O4S
Molecular Weight421.99 g/mol
Exact Mass421.18
IUPAC NameN-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)N(C)CCC(N)C(C)C)cc1.Cl
InChIInChI=1S/C18H31N3O4S.ClH/c1-5-25-15-6-8-16(9-7-15)26(23,24)20-12-10-18(22)21(4)13-11-17(19)14(2)3;/h6-9,14,17,20H,5,10-13,19H2,1-4H3;1H
InChIKeyVOCYIYGABTYLIJ-UHFFFAOYSA-N
XLogP2.01
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.99
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 119657344
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
N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 36521100
[2-oxo-2-(propan-2-ylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35792599
N-(3-amino-4-methylpentyl)-N-methyl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119659796
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
N-(3-amino-4-methylpentyl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
CID 119658015
N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119661117
N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 26622464
N-[(2S)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458973
N-[(2R)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458972

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride (CID 119660473) is N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride is CCOc1ccc(S(=O)(=O)NCCC(=O)N(C)CCC(N)C(C)C)cc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride?
The InChIKey is VOCYIYGABTYLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4S.ClH/c1-5-25-15-6-8-16(9-7-15)26(23,24)20-12-10-18(22)21(4)13-11-17(19)14(2)3;/h6-9,14,17,20H,5,10-13,19H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride has a molecular weight of 421.99 g/mol, XLogP of 2.01, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119660473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).