2-[(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide

C16H20N2O3S2 — CID 24792565

IUPAC2-[(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)NC(C)c2cccs2)cc1
InChIInChI=1S/C16H20N2O3S2/c1-11-6-8-14(9-7-11)23(20,21)18-13(3)16(19)17-12(2)15-5-4-10-22-15/h4-10,12-13,18H,1-3H3,(H,17,19)
InChIKeyITVDLDCWTKXPOR-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.60
Rot. Bonds6

About 2-[(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide

2-[(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide (PubChem CID 24792565) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide
PubChem CID24792565
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)NC(C)c2cccs2)cc1
InChIInChI=1S/C16H20N2O3S2/c1-11-6-8-14(9-7-11)23(20,21)18-13(3)16(19)17-12(2)15-5-4-10-22-15/h4-10,12-13,18H,1-3H3,(H,17,19)
InChIKeyITVDLDCWTKXPOR-UHFFFAOYSA-N
XLogP2.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide (CID 24792565) is 2-[(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide is Cc1ccc(S(=O)(=O)NC(C)C(=O)NC(C)c2cccs2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide?
The InChIKey is ITVDLDCWTKXPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-11-6-8-14(9-7-11)23(20,21)18-13(3)16(19)17-12(2)15-5-4-10-22-15/h4-10,12-13,18H,1-3H3,(H,17,19).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide?
2-[(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide has a molecular weight of 352.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 24792565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).