N-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide

C19H31N3O3S — CID 109060249

IUPACN-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCCN(C)C)cc1
InChIInChI=1S/C19H31N3O3S/c1-4-17-8-5-6-15-22(17)26(24,25)18-11-9-16(10-12-18)19(23)20-13-7-14-21(2)3/h9-12,17H,4-8,13-15H2,1-3H3,(H,20,23)
InChIKeyWZHRYQIGIROFAG-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.32
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide

N-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 109060249) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
PubChem CID109060249
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCCN(C)C)cc1
InChIInChI=1S/C19H31N3O3S/c1-4-17-8-5-6-15-22(17)26(24,25)18-11-9-16(10-12-18)19(23)20-13-7-14-21(2)3/h9-12,17H,4-8,13-15H2,1-3H3,(H,20,23)
InChIKeyWZHRYQIGIROFAG-UHFFFAOYSA-N
XLogP2.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058846
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide
CID 78781172
N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119408692
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide
CID 109061511
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide
CID 109060231
N-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 43963894
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitrobenzamide
CID 7381709
N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55408143
2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
N-[2-[(2R)-2-ethylpiperidin-1-yl]sulfonylethyl]benzamide
CID 7600931
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide
CID 8794951

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide (CID 109060249) is N-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide is CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCCN(C)C)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is WZHRYQIGIROFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-4-17-8-5-6-15-22(17)26(24,25)18-11-9-16(10-12-18)19(23)20-13-7-14-21(2)3/h9-12,17H,4-8,13-15H2,1-3H3,(H,20,23).
What are the key properties of N-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
N-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 381.54 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 109060249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).