4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide

C19H28ClN3O4S — CID 55953958

IUPAC4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide
SMILESCCCNC(=O)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C19H28ClN3O4S/c1-3-9-21-18(24)8-10-22-19(25)15-6-7-16(20)17(12-15)28(26,27)23-11-4-5-14(2)13-23/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJEOPKMHVZUUVLT-UHFFFAOYSA-N
MW429.97 g/mol
LogP2.41
Rot. Bonds8

About 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide

4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide (PubChem CID 55953958) has the molecular formula C19H28ClN3O4S and a molecular weight of 429.97 g/mol. Its IUPAC name is 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide
PubChem CID55953958
Molecular FormulaC19H28ClN3O4S
Molecular Weight429.97 g/mol
Exact Mass429.15
IUPAC Name4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide
SMILESCCCNC(=O)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C19H28ClN3O4S/c1-3-9-21-18(24)8-10-22-19(25)15-6-7-16(20)17(12-15)28(26,27)23-11-4-5-14(2)13-23/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJEOPKMHVZUUVLT-UHFFFAOYSA-N
XLogP2.41
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 55612530
4-chloro-N-(2-methylbutan-2-yl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 40820715
4-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 71878902
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-propylbenzamide
CID 70702635
N-butyl-4-chloro-N-(2-hydroxyethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 78856032
4-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 51889196
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 42917703
4-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 8733033
4-chloro-N-(2,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 26359533
4-chloro-N-(2,3-dimethylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 42992443
4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60518959
[2-(tert-butylamino)-2-oxoethyl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide?
The IUPAC name of 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide (CID 55953958) is 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide.
What is the SMILES notation for 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide?
The canonical SMILES for 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide is CCCNC(=O)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC(C)C2)c1.
What is the InChIKey of 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide?
The InChIKey is JEOPKMHVZUUVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O4S/c1-3-9-21-18(24)8-10-22-19(25)15-6-7-16(20)17(12-15)28(26,27)23-11-4-5-14(2)13-23/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide?
4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide has a molecular weight of 429.97 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-[3-oxo-3-(propylamino)propyl]benzamide is sourced from PubChem (CID 55953958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).