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

C24H31N3O4S — CID 4664347

IUPAC3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCCCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3CC)cc2)c1
InChIInChI=1S/C24H31N3O4S/c1-3-8-23(28)25-20-10-7-9-18(17-20)24(29)26-19-12-14-22(15-13-19)32(30,31)27-16-6-5-11-21(27)4-2/h7,9-10,12-15,17,21H,3-6,8,11,16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyFZXUJWXYWBMFKV-UHFFFAOYSA-N
MW457.60 g/mol
LogP4.63
Rot. Bonds8

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

3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 4664347) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID4664347
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESCCCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3CC)cc2)c1
InChIInChI=1S/C24H31N3O4S/c1-3-8-23(28)25-20-10-7-9-18(17-20)24(29)26-19-12-14-22(15-13-19)32(30,31)27-16-6-5-11-21(27)4-2/h7,9-10,12-15,17,21H,3-6,8,11,16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyFZXUJWXYWBMFKV-UHFFFAOYSA-N
XLogP4.63
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide
CID 17256852
3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17147787
3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 109065546
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide
CID 6467830
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17256634
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide
CID 3962822
2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
CID 7234238
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitrobenzamide
CID 7381709
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154220

Frequently Asked Questions

What is the IUPAC name of 3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 4664347) is 3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide is CCCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3CC)cc2)c1.
What is the InChIKey of 3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is FZXUJWXYWBMFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-3-8-23(28)25-20-10-7-9-18(17-20)24(29)26-19-12-14-22(15-13-19)32(30,31)27-16-6-5-11-21(27)4-2/h7,9-10,12-15,17,21H,3-6,8,11,16H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide?
3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 457.60 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 4664347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).