N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide

C20H20N2O3S2 — CID 1012745

IUPACN-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)c(C)c1
InChIInChI=1S/C20H20N2O3S2/c1-13-11-14(2)19(15(3)12-13)22-27(24,25)17-8-6-16(7-9-17)21-20(23)18-5-4-10-26-18/h4-12,22H,1-3H3,(H,21,23)
InChIKeyRQTQDKBPEQFMOJ-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.73
Rot. Bonds5

About N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide

N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 1012745) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
PubChem CID1012745
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC NameN-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)c(C)c1
InChIInChI=1S/C20H20N2O3S2/c1-13-11-14(2)19(15(3)12-13)22-27(24,25)17-8-6-16(7-9-17)21-20(23)18-5-4-10-26-18/h4-12,22H,1-3H3,(H,21,23)
InChIKeyRQTQDKBPEQFMOJ-UHFFFAOYSA-N
XLogP4.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cambridge id 5272675
CID 1377411
N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 687455
5-methyl-N-[4-(methylsulfamoyl)phenyl]thiophene-3-carboxamide
CID 1247495
Thiophene-2-carboxylic acid [3-(4-fluoro-benzoylamino)-4-methyl-phenyl]-amide
CID 1432986
N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2188561
N-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide
CID 2811612
N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2811895
4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 4963703
4-{[Methyl(3-methylphenyl)amino]sulfonyl}thiophene-2-carboxamide
CID 6486034
N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide
CID 7267028
4-{[(2-Methylphenyl)amino]sulfonyl}thiophene-2-carboxamide
CID 8028190
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 1395884

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide (CID 1012745) is N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide is Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)c(C)c1.
What is the InChIKey of N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is RQTQDKBPEQFMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-13-11-14(2)19(15(3)12-13)22-27(24,25)17-8-6-16(7-9-17)21-20(23)18-5-4-10-26-18/h4-12,22H,1-3H3,(H,21,23).
What are the key properties of N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1012745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).