5-(4-chlorophenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)-3-methylthiophene-2-carboxamide

C20H18ClNO4S2 — CID 2812770

IUPAC5-(4-chlorophenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(S(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C20H18ClNO4S2/c1-13-11-18(28(25,26)16-9-7-15(21)8-10-16)27-19(13)20(24)22-12-17(23)14-5-3-2-4-6-14/h2-11,17,23H,12H2,1H3,(H,22,24)
InChIKeyHSVIYEDNQAJBAJ-UHFFFAOYSA-N
MW435.95 g/mol
LogP4.01
Rot. Bonds6

About 5-(4-chlorophenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)-3-methylthiophene-2-carboxamide

5-(4-chlorophenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)-3-methylthiophene-2-carboxamide (PubChem CID 2812770) has the molecular formula C20H18ClNO4S2 and a molecular weight of 435.95 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)-3-methylthiophene-2-carboxamide
PubChem CID2812770
Molecular FormulaC20H18ClNO4S2
Molecular Weight435.95 g/mol
Exact Mass435.04
IUPAC Name5-(4-chlorophenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(S(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C20H18ClNO4S2/c1-13-11-18(28(25,26)16-9-7-15(21)8-10-16)27-19(13)20(24)22-12-17(23)14-5-3-2-4-6-14/h2-11,17,23H,12H2,1H3,(H,22,24)
InChIKeyHSVIYEDNQAJBAJ-UHFFFAOYSA-N
XLogP4.01
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.95
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)-3-methylthiophene-2-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 5-(4-chlorophenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)-3-methylthiophene-2-carboxamide (CID 2812770) is 5-(4-chlorophenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)-3-methylthiophene-2-carboxamide is Cc1cc(S(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)NCC(O)c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)-3-methylthiophene-2-carboxamide?
The InChIKey is HSVIYEDNQAJBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4S2/c1-13-11-18(28(25,26)16-9-7-15(21)8-10-16)27-19(13)20(24)22-12-17(23)14-5-3-2-4-6-14/h2-11,17,23H,12H2,1H3,(H,22,24).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)-3-methylthiophene-2-carboxamide?
5-(4-chlorophenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)-3-methylthiophene-2-carboxamide has a molecular weight of 435.95 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 2812770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).