3-methyl-N-[(4-methylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide

C17H22N2O3S2 — CID 11957243

IUPAC3-methyl-N-[(4-methylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCc1ccc(CNC(=O)C(NS(=O)(=O)c2cccs2)C(C)C)cc1
InChIInChI=1S/C17H22N2O3S2/c1-12(2)16(19-24(21,22)15-5-4-10-23-15)17(20)18-11-14-8-6-13(3)7-9-14/h4-10,12,16,19H,11H2,1-3H3,(H,18,20)
InChIKeyDNHIBKHNRNSXCV-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.68
Rot. Bonds7

About 3-methyl-N-[(4-methylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide

3-methyl-N-[(4-methylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 11957243) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-methyl-N-[(4-methylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound Name3-methyl-N-[(4-methylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID11957243
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC Name3-methyl-N-[(4-methylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCc1ccc(CNC(=O)C(NS(=O)(=O)c2cccs2)C(C)C)cc1
InChIInChI=1S/C17H22N2O3S2/c1-12(2)16(19-24(21,22)15-5-4-10-23-15)17(20)18-11-14-8-6-13(3)7-9-14/h4-10,12,16,19H,11H2,1-3H3,(H,18,20)
InChIKeyDNHIBKHNRNSXCV-UHFFFAOYSA-N
XLogP2.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of 3-methyl-N-[(4-methylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide (CID 11957243) is 3-methyl-N-[(4-methylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for 3-methyl-N-[(4-methylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for 3-methyl-N-[(4-methylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide is Cc1ccc(CNC(=O)C(NS(=O)(=O)c2cccs2)C(C)C)cc1.
What is the InChIKey of 3-methyl-N-[(4-methylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is DNHIBKHNRNSXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-12(2)16(19-24(21,22)15-5-4-10-23-15)17(20)18-11-14-8-6-13(3)7-9-14/h4-10,12,16,19H,11H2,1-3H3,(H,18,20).
What are the key properties of 3-methyl-N-[(4-methylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide?
3-methyl-N-[(4-methylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 366.51 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 11957243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).