N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C21H20ClN3O4S2 — CID 4648331

IUPACN-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)s1
InChIInChI=1S/C21H20ClN3O4S2/c1-13-3-7-17(24-20(26)12-23-21(27)18-10-4-14(2)30-18)11-19(13)31(28,29)25-16-8-5-15(22)6-9-16/h3-11,25H,12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyZXEWIALJJCTDBH-UHFFFAOYSA-N
MW478.00 g/mol
LogP4.19
Rot. Bonds7

About N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 4648331) has the molecular formula C21H20ClN3O4S2 and a molecular weight of 478.00 g/mol. Its IUPAC name is N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID4648331
Molecular FormulaC21H20ClN3O4S2
Molecular Weight478.00 g/mol
Exact Mass477.06
IUPAC NameN-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)s1
InChIInChI=1S/C21H20ClN3O4S2/c1-13-3-7-17(24-20(26)12-23-21(27)18-10-4-14(2)30-18)11-19(13)31(28,29)25-16-8-5-15(22)6-9-16/h3-11,25H,12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyZXEWIALJJCTDBH-UHFFFAOYSA-N
XLogP4.19
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.00
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 4648331) is N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)s1.
What is the InChIKey of N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is ZXEWIALJJCTDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S2/c1-13-3-7-17(24-20(26)12-23-21(27)18-10-4-14(2)30-18)11-19(13)31(28,29)25-16-8-5-15(22)6-9-16/h3-11,25H,12H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 478.00 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 4648331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).