N-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide

C20H33N5O4S — CID 55410668

IUPACN-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide
SMILESCCCCNC(=O)NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C
InChIInChI=1S/C20H33N5O4S/c1-4-5-11-21-20(27)23-19(26)15-22-17-14-16(9-10-18(17)24(2)3)30(28,29)25-12-7-6-8-13-25/h9-10,14,22H,4-8,11-13,15H2,1-3H3,(H2,21,23,26,27)
InChIKeyVPHCIGTWPBWXHR-UHFFFAOYSA-N
MW439.58 g/mol
LogP1.97
Rot. Bonds9

About N-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide

N-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide (PubChem CID 55410668) has the molecular formula C20H33N5O4S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide
PubChem CID55410668
Molecular FormulaC20H33N5O4S
Molecular Weight439.58 g/mol
Exact Mass439.23
IUPAC NameN-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide
SMILESCCCCNC(=O)NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C
InChIInChI=1S/C20H33N5O4S/c1-4-5-11-21-20(27)23-19(26)15-22-17-14-16(9-10-18(17)24(2)3)30(28,29)25-12-7-6-8-13-25/h9-10,14,22H,4-8,11-13,15H2,1-3H3,(H2,21,23,26,27)
InChIKeyVPHCIGTWPBWXHR-UHFFFAOYSA-N
XLogP1.97
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(diethylamino)-5-piperidin-1-ylsulfonylanilino]-N-ethylacetamide
CID 17393393
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-methylacetamide
CID 55411385
2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 26440019
2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 37479540
N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide
CID 24510864
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605980
1-butyl-3-(3-piperidin-1-ylsulfonylphenyl)urea
CID 134062778
N-(butylcarbamoyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8691477
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]cyclopropanecarboxamide
CID 26292561
5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850
5-(azepan-1-ylsulfonyl)-N-butyl-2-chlorobenzamide
CID 28590824
N-(ethylcarbamoyl)-2-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylanilino]acetamide
CID 24510809

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide (CID 55410668) is N-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide is CCCCNC(=O)NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C.
What is the InChIKey of N-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide?
The InChIKey is VPHCIGTWPBWXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O4S/c1-4-5-11-21-20(27)23-19(26)15-22-17-14-16(9-10-18(17)24(2)3)30(28,29)25-12-7-6-8-13-25/h9-10,14,22H,4-8,11-13,15H2,1-3H3,(H2,21,23,26,27).
What are the key properties of N-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide?
N-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide has a molecular weight of 439.58 g/mol, XLogP of 1.97, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide is sourced from PubChem (CID 55410668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).