3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide

C20H20N2O3S2 — CID 66717288

IUPAC3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C20H20N2O3S2/c1-13-11-14(2)18(15(3)12-13)21-20(23)19-17(9-10-26-19)27(24,25)22-16-7-5-4-6-8-16/h4-12,22H,1-3H3,(H,21,23)
InChIKeyCBNQYWFVDPZFKF-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.73
Rot. Bonds5

About 3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide

3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide (PubChem CID 66717288) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
PubChem CID66717288
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC Name3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C20H20N2O3S2/c1-13-11-14(2)18(15(3)12-13)21-20(23)19-17(9-10-26-19)27(24,25)22-16-7-5-4-6-8-16/h4-12,22H,1-3H3,(H,21,23)
InChIKeyCBNQYWFVDPZFKF-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

3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235697
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 70060324
3-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 60615636
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(2-hydroxyethyl)-4,6-dimethylphenyl]thiophene-2-carboxamide
CID 10140054
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propylsulfonylphenyl)thiophene-2-carboxamide
CID 10119327
3-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87604038
3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62811245
methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 5069019
3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43090751
N-(3,4-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 53076832
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 35743328

Frequently Asked Questions

What is the IUPAC name of 3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide (CID 66717288) is 3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide is Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2ccccc2)c(C)c1.
What is the InChIKey of 3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide?
The InChIKey is CBNQYWFVDPZFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-13-11-14(2)18(15(3)12-13)21-20(23)19-17(9-10-26-19)27(24,25)22-16-7-5-4-6-8-16/h4-12,22H,1-3H3,(H,21,23).
What are the key properties of 3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide?
3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)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 3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 66717288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).