2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C21H28N4O4S2 — CID 37479540

IUPAC2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)NC(=O)NCCc1cccs1
InChIInChI=1S/C21H28N4O4S2/c1-16-7-8-18(31(28,29)25-11-3-2-4-12-25)14-19(16)23-15-20(26)24-21(27)22-10-9-17-6-5-13-30-17/h5-8,13-14,23H,2-4,9-12,15H2,1H3,(H2,22,24,26,27)
InChIKeyGRMFSAQFMSZOIV-UHFFFAOYSA-N
MW464.61 g/mol
LogP2.71
Rot. Bonds8

About 2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 37479540) has the molecular formula C21H28N4O4S2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
PubChem CID37479540
Molecular FormulaC21H28N4O4S2
Molecular Weight464.61 g/mol
Exact Mass464.16
IUPAC Name2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)NC(=O)NCCc1cccs1
InChIInChI=1S/C21H28N4O4S2/c1-16-7-8-18(31(28,29)25-11-3-2-4-12-25)14-19(16)23-15-20(26)24-21(27)22-10-9-17-6-5-13-30-17/h5-8,13-14,23H,2-4,9-12,15H2,1H3,(H2,22,24,26,27)
InChIKeyGRMFSAQFMSZOIV-UHFFFAOYSA-N
XLogP2.71
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202795
N-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide
CID 55410668
N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 26438440
2-(2,3-dimethylanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080862
2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 55437044
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide
CID 9466304
N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 7939475
N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide
CID 24510864
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 30125667
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 31009711
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 3967856
2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 43015979

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 37479540) is 2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)NC(=O)NCCc1cccs1.
What is the InChIKey of 2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The InChIKey is GRMFSAQFMSZOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S2/c1-16-7-8-18(31(28,29)25-11-3-2-4-12-25)14-19(16)23-15-20(26)24-21(27)22-10-9-17-6-5-13-30-17/h5-8,13-14,23H,2-4,9-12,15H2,1H3,(H2,22,24,26,27).
What are the key properties of 2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 464.61 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 37479540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).