N-(ethylcarbamoyl)-2-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylanilino]acetamide

C23H30N4O5S — CID 24510809

IUPACN-(ethylcarbamoyl)-2-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylanilino]acetamide
SMILESCCNC(=O)NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cccc(C)c1
InChIInChI=1S/C23H30N4O5S/c1-3-24-23(29)26-22(28)16-25-20-15-19(33(30,31)27-12-5-4-6-13-27)10-11-21(20)32-18-9-7-8-17(2)14-18/h7-11,14-15,25H,3-6,12-13,16H2,1-2H3,(H2,24,26,28,29)
InChIKeyKKMUNPHETUSWLQ-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.22
Rot. Bonds8

About N-(ethylcarbamoyl)-2-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylanilino]acetamide

N-(ethylcarbamoyl)-2-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylanilino]acetamide (PubChem CID 24510809) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylanilino]acetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylanilino]acetamide
PubChem CID24510809
Molecular FormulaC23H30N4O5S
Molecular Weight474.58 g/mol
Exact Mass474.19
IUPAC NameN-(ethylcarbamoyl)-2-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylanilino]acetamide
SMILESCCNC(=O)NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cccc(C)c1
InChIInChI=1S/C23H30N4O5S/c1-3-24-23(29)26-22(28)16-25-20-15-19(33(30,31)27-12-5-4-6-13-27)10-11-21(20)32-18-9-7-8-17(2)14-18/h7-11,14-15,25H,3-6,12-13,16H2,1-2H3,(H2,24,26,28,29)
InChIKeyKKMUNPHETUSWLQ-UHFFFAOYSA-N
XLogP3.22
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide
CID 24510864
N-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide
CID 55410668
2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 37479540
(2S)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide
CID 28632879
2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 26440019
2-[2-(diethylamino)-5-piperidin-1-ylsulfonylanilino]-N-ethylacetamide
CID 17393393
2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55364781
2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 46511334
2-(3-methylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108736263
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
CID 7761111
N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide
CID 4831895
N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083438

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylanilino]acetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylanilino]acetamide (CID 24510809) is N-(ethylcarbamoyl)-2-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylanilino]acetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylanilino]acetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylanilino]acetamide is CCNC(=O)NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cccc(C)c1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylanilino]acetamide?
The InChIKey is KKMUNPHETUSWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-3-24-23(29)26-22(28)16-25-20-15-19(33(30,31)27-12-5-4-6-13-27)10-11-21(20)32-18-9-7-8-17(2)14-18/h7-11,14-15,25H,3-6,12-13,16H2,1-2H3,(H2,24,26,28,29).
What are the key properties of N-(ethylcarbamoyl)-2-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylanilino]acetamide?
N-(ethylcarbamoyl)-2-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylanilino]acetamide has a molecular weight of 474.58 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylanilino]acetamide is sourced from PubChem (CID 24510809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).