N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride

C17H28ClN3O3S — CID 119504648

IUPACN-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-3-18-10-11-19-17(21)15-4-6-16(7-5-15)24(22,23)20-12-8-14(2)9-13-20;/h4-7,14,18H,3,8-13H2,1-2H3,(H,19,21);1H
InChIKeyDELXWQARZJFVSF-UHFFFAOYSA-N
MW389.95 g/mol
LogP1.87
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride

N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride (PubChem CID 119504648) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
PubChem CID119504648
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-3-18-10-11-19-17(21)15-4-6-16(7-5-15)24(22,23)20-12-8-14(2)9-13-20;/h4-7,14,18H,3,8-13H2,1-2H3,(H,19,21);1H
InChIKeyDELXWQARZJFVSF-UHFFFAOYSA-N
XLogP1.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 31849879
4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884155
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 55951815
N-[(2-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26692000
N-[4-(4-fluorophenoxy)butyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 42572130
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182
N-[2-(ethylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119505248
N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46586668
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 27644813
4-(azepan-1-ylsulfonyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzamide
CID 9051584

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride (CID 119504648) is N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride is CCNCCNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The InChIKey is DELXWQARZJFVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-3-18-10-11-19-17(21)15-4-6-16(7-5-15)24(22,23)20-12-8-14(2)9-13-20;/h4-7,14,18H,3,8-13H2,1-2H3,(H,19,21);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119504648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).