2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

C18H24N2O3S2 — CID 2118296

IUPAC2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H24N2O3S2/c1-4-20(13-18(21)19-12-16-6-5-11-24-16)25(22,23)17-9-7-15(8-10-17)14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,19,21)
InChIKeyCLEHTBAEAUWHEW-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.20
Rot. Bonds8

About 2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2118296) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2118296
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC Name2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H24N2O3S2/c1-4-20(13-18(21)19-12-16-6-5-11-24-16)25(22,23)17-9-7-15(8-10-17)14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,19,21)
InChIKeyCLEHTBAEAUWHEW-UHFFFAOYSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 2118296) is 2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CLEHTBAEAUWHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-4-20(13-18(21)19-12-16-6-5-11-24-16)25(22,23)17-9-7-15(8-10-17)14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,19,21).
What are the key properties of 2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 380.54 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2118296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).