N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide

C23H30N2O3S — CID 17256826

IUPACN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CC(C)c2ccccc2)cc1
InChIInChI=1S/C23H30N2O3S/c1-3-21-11-7-8-16-25(21)29(27,28)22-14-12-20(13-15-22)24-23(26)17-18(2)19-9-5-4-6-10-19/h4-6,9-10,12-15,18,21H,3,7-8,11,16-17H2,1-2H3,(H,24,26)
InChIKeyWFUUBJREBGHBOE-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.77
Rot. Bonds7

About N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide

N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide (PubChem CID 17256826) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide
PubChem CID17256826
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CC(C)c2ccccc2)cc1
InChIInChI=1S/C23H30N2O3S/c1-3-21-11-7-8-16-25(21)29(27,28)22-14-12-20(13-15-22)24-23(26)17-18(2)19-9-5-4-6-10-19/h4-6,9-10,12-15,18,21H,3,7-8,11,16-17H2,1-2H3,(H,24,26)
InChIKeyWFUUBJREBGHBOE-UHFFFAOYSA-N
XLogP4.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide
CID 17256766
(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 92660341
3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17147787
2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide
CID 4590168
N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide
CID 42957046
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066658
2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 4090474
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154220
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 5169215
ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate
CID 7369009

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide?
The IUPAC name of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide (CID 17256826) is N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide.
What is the SMILES notation for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide?
The canonical SMILES for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide is CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CC(C)c2ccccc2)cc1.
What is the InChIKey of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide?
The InChIKey is WFUUBJREBGHBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-3-21-11-7-8-16-25(21)29(27,28)22-14-12-20(13-15-22)24-23(26)17-18(2)19-9-5-4-6-10-19/h4-6,9-10,12-15,18,21H,3,7-8,11,16-17H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide?
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide has a molecular weight of 414.57 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide is sourced from PubChem (CID 17256826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).