3-[(4-chlorophenyl)sulfonyl-methylamino]-N-ethylthiophene-2-carboxamide

C14H15ClN2O3S2 — CID 51364507

IUPAC3-[(4-chlorophenyl)sulfonyl-methylamino]-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O3S2/c1-3-16-14(18)13-12(8-9-21-13)17(2)22(19,20)11-6-4-10(15)5-7-11/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyNEEOHTRCUPMLBJ-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.98
Rot. Bonds5

About 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-ethylthiophene-2-carboxamide

3-[(4-chlorophenyl)sulfonyl-methylamino]-N-ethylthiophene-2-carboxamide (PubChem CID 51364507) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonyl-methylamino]-N-ethylthiophene-2-carboxamide
PubChem CID51364507
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC Name3-[(4-chlorophenyl)sulfonyl-methylamino]-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O3S2/c1-3-16-14(18)13-12(8-9-21-13)17(2)22(19,20)11-6-4-10(15)5-7-11/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyNEEOHTRCUPMLBJ-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-ethylthiophene-2-carboxamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-ethylthiophene-2-carboxamide (CID 51364507) is 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-ethylthiophene-2-carboxamide is CCNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-ethylthiophene-2-carboxamide?
The InChIKey is NEEOHTRCUPMLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S2/c1-3-16-14(18)13-12(8-9-21-13)17(2)22(19,20)11-6-4-10(15)5-7-11/h4-9H,3H2,1-2H3,(H,16,18).
What are the key properties of 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-ethylthiophene-2-carboxamide?
3-[(4-chlorophenyl)sulfonyl-methylamino]-N-ethylthiophene-2-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonyl-methylamino]-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 51364507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).