N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

C23H31N3O5S2 — CID 17154220

IUPACN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H31N3O5S2/c1-3-20-6-4-5-17-26(20)33(30,31)22-13-9-19(10-14-22)25-23(27)15-16-24-32(28,29)21-11-7-18(2)8-12-21/h7-14,20,24H,3-6,15-17H2,1-2H3,(H,25,27)
InChIKeyPIERIGIHPSKACB-UHFFFAOYSA-N
MW493.65 g/mol
LogP3.26
Rot. Bonds9

About N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 17154220) has the molecular formula C23H31N3O5S2 and a molecular weight of 493.65 g/mol. Its IUPAC name is N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID17154220
Molecular FormulaC23H31N3O5S2
Molecular Weight493.65 g/mol
Exact Mass493.17
IUPAC NameN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H31N3O5S2/c1-3-20-6-4-5-17-26(20)33(30,31)22-13-9-19(10-14-22)25-23(27)15-16-24-32(28,29)21-11-7-18(2)8-12-21/h7-14,20,24H,3-6,15-17H2,1-2H3,(H,25,27)
InChIKeyPIERIGIHPSKACB-UHFFFAOYSA-N
XLogP3.26
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17147787
2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066658
N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16836945
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide
CID 17256826
ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate
CID 7369009
(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 92660341
2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide
CID 4590168
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide
CID 17256766
3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4664347
1-(4-chlorophenyl)-3-[2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 41194713

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 17154220) is N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide is CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is PIERIGIHPSKACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S2/c1-3-20-6-4-5-17-26(20)33(30,31)22-13-9-19(10-14-22)25-23(27)15-16-24-32(28,29)21-11-7-18(2)8-12-21/h7-14,20,24H,3-6,15-17H2,1-2H3,(H,25,27).
What are the key properties of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 493.65 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17154220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).