N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide

C12H17Cl2NO3S2 — CID 75457383

IUPACN-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
SMILESCC(C)(C)N(CCS(C)(=O)=O)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H17Cl2NO3S2/c1-12(2,3)15(5-6-20(4,17)18)11(16)8-7-9(13)19-10(8)14/h7H,5-6H2,1-4H3
InChIKeyZVVQDZADFHBTHK-UHFFFAOYSA-N
MW358.31 g/mol
LogP3.34
Rot. Bonds4

About N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide

N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide (PubChem CID 75457383) has the molecular formula C12H17Cl2NO3S2 and a molecular weight of 358.31 g/mol. Its IUPAC name is N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
PubChem CID75457383
Molecular FormulaC12H17Cl2NO3S2
Molecular Weight358.31 g/mol
Exact Mass357.00
IUPAC NameN-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
SMILESCC(C)(C)N(CCS(C)(=O)=O)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H17Cl2NO3S2/c1-12(2,3)15(5-6-20(4,17)18)11(16)8-7-9(13)19-10(8)14/h7H,5-6H2,1-4H3
InChIKeyZVVQDZADFHBTHK-UHFFFAOYSA-N
XLogP3.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide?
The IUPAC name of N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide (CID 75457383) is N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide?
The canonical SMILES for N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide is CC(C)(C)N(CCS(C)(=O)=O)C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide?
The InChIKey is ZVVQDZADFHBTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO3S2/c1-12(2,3)15(5-6-20(4,17)18)11(16)8-7-9(13)19-10(8)14/h7H,5-6H2,1-4H3.
What are the key properties of N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide?
N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide has a molecular weight of 358.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide is sourced from PubChem (CID 75457383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).