2-chloro-N-[3-oxo-1-phenyl-3-[(1-propylsulfonylpiperidin-4-yl)amino]propyl]benzamide

C24H30ClN3O4S — CID 55694840

IUPAC2-chloro-N-[3-oxo-1-phenyl-3-[(1-propylsulfonylpiperidin-4-yl)amino]propyl]benzamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)CC1
InChIInChI=1S/C24H30ClN3O4S/c1-2-16-33(31,32)28-14-12-19(13-15-28)26-23(29)17-22(18-8-4-3-5-9-18)27-24(30)20-10-6-7-11-21(20)25/h3-11,19,22H,2,12-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyWPBMHVZXEQLWFN-UHFFFAOYSA-N
MW492.04 g/mol
LogP3.52
Rot. Bonds9

About 2-chloro-N-[3-oxo-1-phenyl-3-[(1-propylsulfonylpiperidin-4-yl)amino]propyl]benzamide

2-chloro-N-[3-oxo-1-phenyl-3-[(1-propylsulfonylpiperidin-4-yl)amino]propyl]benzamide (PubChem CID 55694840) has the molecular formula C24H30ClN3O4S and a molecular weight of 492.04 g/mol. Its IUPAC name is 2-chloro-N-[3-oxo-1-phenyl-3-[(1-propylsulfonylpiperidin-4-yl)amino]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-oxo-1-phenyl-3-[(1-propylsulfonylpiperidin-4-yl)amino]propyl]benzamide
PubChem CID55694840
Molecular FormulaC24H30ClN3O4S
Molecular Weight492.04 g/mol
Exact Mass491.16
IUPAC Name2-chloro-N-[3-oxo-1-phenyl-3-[(1-propylsulfonylpiperidin-4-yl)amino]propyl]benzamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)CC1
InChIInChI=1S/C24H30ClN3O4S/c1-2-16-33(31,32)28-14-12-19(13-15-28)26-23(29)17-22(18-8-4-3-5-9-18)27-24(30)20-10-6-7-11-21(20)25/h3-11,19,22H,2,12-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyWPBMHVZXEQLWFN-UHFFFAOYSA-N
XLogP3.52
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.04
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 7688761
N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 4806734
2-chloro-N-[1-[(1-ethylsulfonylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 24685827
2-chloro-N-[(1R)-3-(2-methylbutan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 7700948
(2S)-2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166239591
2-chloro-N-[(1S)-3-[[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 51962963
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
N-[(1R)-3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 51534256
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 119278332
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-oxo-1-phenyl-3-[(1-propylsulfonylpiperidin-4-yl)amino]propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-oxo-1-phenyl-3-[(1-propylsulfonylpiperidin-4-yl)amino]propyl]benzamide (CID 55694840) is 2-chloro-N-[3-oxo-1-phenyl-3-[(1-propylsulfonylpiperidin-4-yl)amino]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-oxo-1-phenyl-3-[(1-propylsulfonylpiperidin-4-yl)amino]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-oxo-1-phenyl-3-[(1-propylsulfonylpiperidin-4-yl)amino]propyl]benzamide is CCCS(=O)(=O)N1CCC(NC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)CC1.
What is the InChIKey of 2-chloro-N-[3-oxo-1-phenyl-3-[(1-propylsulfonylpiperidin-4-yl)amino]propyl]benzamide?
The InChIKey is WPBMHVZXEQLWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O4S/c1-2-16-33(31,32)28-14-12-19(13-15-28)26-23(29)17-22(18-8-4-3-5-9-18)27-24(30)20-10-6-7-11-21(20)25/h3-11,19,22H,2,12-17H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 2-chloro-N-[3-oxo-1-phenyl-3-[(1-propylsulfonylpiperidin-4-yl)amino]propyl]benzamide?
2-chloro-N-[3-oxo-1-phenyl-3-[(1-propylsulfonylpiperidin-4-yl)amino]propyl]benzamide has a molecular weight of 492.04 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-oxo-1-phenyl-3-[(1-propylsulfonylpiperidin-4-yl)amino]propyl]benzamide is sourced from PubChem (CID 55694840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).