N-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide

C21H20N2O4S2 — CID 55534918

IUPACN-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccccc1NC(=O)c1cccs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H20N2O4S2/c1-14(15-9-11-16(12-10-15)29(2,26)27)22-20(24)17-6-3-4-7-18(17)23-21(25)19-8-5-13-28-19/h3-14H,1-2H3,(H,22,24)(H,23,25)
InChIKeyCLLAECDQYVIAGR-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.89
Rot. Bonds6

About N-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55534918) has the molecular formula C21H20N2O4S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55534918
Molecular FormulaC21H20N2O4S2
Molecular Weight428.54 g/mol
Exact Mass428.09
IUPAC NameN-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccccc1NC(=O)c1cccs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H20N2O4S2/c1-14(15-9-11-16(12-10-15)29(2,26)27)22-20(24)17-6-3-4-7-18(17)23-21(25)19-8-5-13-28-19/h3-14H,1-2H3,(H,22,24)(H,23,25)
InChIKeyCLLAECDQYVIAGR-UHFFFAOYSA-N
XLogP3.89
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25497398
N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4935194
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] thiophene-2-carboxylate
CID 42900841
2-[4-(difluoromethylsulfanyl)anilino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55433243
3-amino-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 67401938
2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 67401935
N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 111483577
N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24668236
N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
CID 74250699
2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 3666932
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-2-carboxamide
CID 8500551
2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55433083

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 55534918) is N-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide is CC(NC(=O)c1ccccc1NC(=O)c1cccs1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is CLLAECDQYVIAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S2/c1-14(15-9-11-16(12-10-15)29(2,26)27)22-20(24)17-6-3-4-7-18(17)23-21(25)19-8-5-13-28-19/h3-14H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-methylsulfonylphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55534918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).