N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide

C20H18ClNO3S2 — CID 53124526

IUPACN-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(C(=O)NCCc3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C20H18ClNO3S2/c1-14-2-8-17(9-3-14)27(24,25)19-11-10-18(26-19)20(23)22-13-12-15-4-6-16(21)7-5-15/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyKAXYFHJZJZCIGX-UHFFFAOYSA-N
MW419.96 g/mol
LogP4.52
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide (PubChem CID 53124526) has the molecular formula C20H18ClNO3S2 and a molecular weight of 419.96 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
PubChem CID53124526
Molecular FormulaC20H18ClNO3S2
Molecular Weight419.96 g/mol
Exact Mass419.04
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(C(=O)NCCc3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C20H18ClNO3S2/c1-14-2-8-17(9-3-14)27(24,25)19-11-10-18(26-19)20(23)22-13-12-15-4-6-16(21)7-5-15/h2-11H,12-13H2,1H3,(H,22,23)
InChIKeyKAXYFHJZJZCIGX-UHFFFAOYSA-N
XLogP4.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 53124370
N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124608
N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124593
5-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 53124572
4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61117048
3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide
CID 146701430
3-(butanoylamino)-4-(4-chlorophenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]benzamide
CID 4048482
N-[2-(4-chlorophenyl)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 46671339
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
CID 17139039
N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
CID 162436549
5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61027372
5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 57430116

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide (CID 53124526) is N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide is Cc1ccc(S(=O)(=O)c2ccc(C(=O)NCCc3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
The InChIKey is KAXYFHJZJZCIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3S2/c1-14-2-8-17(9-3-14)27(24,25)19-11-10-18(26-19)20(23)22-13-12-15-4-6-16(21)7-5-15/h2-11H,12-13H2,1H3,(H,22,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide has a molecular weight of 419.96 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 53124526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).