2-(N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide

C20H20N2O3S2 — CID 4801274

IUPAC2-(N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCc2cccs2)c2ccccc2)cc1
InChIInChI=1S/C20H20N2O3S2/c1-16-9-11-19(12-10-16)27(24,25)22(17-6-3-2-4-7-17)15-20(23)21-14-18-8-5-13-26-18/h2-13H,14-15H2,1H3,(H,21,23)
InChIKeyLTSVURTUKJPYTI-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.57
Rot. Bonds7

About 2-(N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide

2-(N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4801274) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-(N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4801274
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC Name2-(N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCc2cccs2)c2ccccc2)cc1
InChIInChI=1S/C20H20N2O3S2/c1-16-9-11-19(12-10-16)27(24,25)22(17-6-3-2-4-7-17)15-20(23)21-14-18-8-5-13-26-18/h2-13H,14-15H2,1H3,(H,21,23)
InChIKeyLTSVURTUKJPYTI-UHFFFAOYSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide (CID 4801274) is 2-(N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccs2)c2ccccc2)cc1.
What is the InChIKey of 2-(N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is LTSVURTUKJPYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-16-9-11-19(12-10-16)27(24,25)22(17-6-3-2-4-7-17)15-20(23)21-14-18-8-5-13-26-18/h2-13H,14-15H2,1H3,(H,21,23).
What are the key properties of 2-(N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide?
2-(N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 400.53 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4801274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).