3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide

C24H32ClN3O3S — CID 43876108

IUPAC3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCC1CCCCN1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1
InChIInChI=1S/C24H32ClN3O3S/c1-3-20-7-4-5-15-28(20)16-6-14-26-24(29)19-10-13-23(22(25)17-19)27-32(30,31)21-11-8-18(2)9-12-21/h8-13,17,20,27H,3-7,14-16H2,1-2H3,(H,26,29)
InChIKeyRJZTVMSJTIAUBP-UHFFFAOYSA-N
MW478.06 g/mol
LogP4.83
Rot. Bonds9

About 3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide

3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 43876108) has the molecular formula C24H32ClN3O3S and a molecular weight of 478.06 g/mol. Its IUPAC name is 3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID43876108
Molecular FormulaC24H32ClN3O3S
Molecular Weight478.06 g/mol
Exact Mass477.19
IUPAC Name3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCC1CCCCN1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1
InChIInChI=1S/C24H32ClN3O3S/c1-3-20-7-4-5-15-28(20)16-6-14-26-24(29)19-10-13-23(22(25)17-19)27-32(30,31)21-11-8-18(2)9-12-21/h8-13,17,20,27H,3-7,14-16H2,1-2H3,(H,26,29)
InChIKeyRJZTVMSJTIAUBP-UHFFFAOYSA-N
XLogP4.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.06
LogP ≤ 54.83
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

3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
CID 28577865
N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99950233
3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide
CID 20968455
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 92882504
3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28632726
4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 84975147
3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770016
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969125
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
CID 92677554
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 133209869
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 43876108) is 3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is CCC1CCCCN1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is RJZTVMSJTIAUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O3S/c1-3-20-7-4-5-15-28(20)16-6-14-26-24(29)19-10-13-23(22(25)17-19)27-32(30,31)21-11-8-18(2)9-12-21/h8-13,17,20,27H,3-7,14-16H2,1-2H3,(H,26,29).
What are the key properties of 3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 478.06 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 43876108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).