N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide

C24H28ClN3O3S — CID 20919093

IUPACN-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide
SMILESCCC(C(=O)NCc1ccc(Cl)cc1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C24H28ClN3O3S/c1-2-22(24(29)26-17-18-6-8-20(25)9-7-18)28-15-12-19-16-21(10-11-23(19)28)32(30,31)27-13-4-3-5-14-27/h6-12,15-16,22H,2-5,13-14,17H2,1H3,(H,26,29)
InChIKeyMCMIJPRMJAFVKL-UHFFFAOYSA-N
MW474.03 g/mol
LogP4.74
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide

N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide (PubChem CID 20919093) has the molecular formula C24H28ClN3O3S and a molecular weight of 474.03 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide
PubChem CID20919093
Molecular FormulaC24H28ClN3O3S
Molecular Weight474.03 g/mol
Exact Mass473.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide
SMILESCCC(C(=O)NCc1ccc(Cl)cc1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C24H28ClN3O3S/c1-2-22(24(29)26-17-18-6-8-20(25)9-7-18)28-15-12-19-16-21(10-11-23(19)28)32(30,31)27-13-4-3-5-14-27/h6-12,15-16,22H,2-5,13-14,17H2,1H3,(H,26,29)
InChIKeyMCMIJPRMJAFVKL-UHFFFAOYSA-N
XLogP4.74
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.03
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 20919118
(2S)-N-[(2-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide
CID 92706434
(2R)-N-[(2-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide
CID 92706435
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 20919077
3-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 46278529
(2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 92723149
(2S)-1-piperidin-1-yl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propan-1-one
CID 92723142
(2R)-1-piperidin-1-yl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propan-1-one
CID 92723143
2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 20918891
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
1-[1-(4-chlorophenyl)ethyl]-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 42928242
2-(2,4-dichlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 108736187

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide (CID 20919093) is N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide is CCC(C(=O)NCc1ccc(Cl)cc1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide?
The InChIKey is MCMIJPRMJAFVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3S/c1-2-22(24(29)26-17-18-6-8-20(25)9-7-18)28-15-12-19-16-21(10-11-23(19)28)32(30,31)27-13-4-3-5-14-27/h6-12,15-16,22H,2-5,13-14,17H2,1H3,(H,26,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide?
N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide has a molecular weight of 474.03 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide is sourced from PubChem (CID 20919093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).