N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

C20H18N2O4S2 — CID 18140938

IUPACN-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C20H18N2O4S2/c1-2-28(25,26)17-10-8-15(9-11-17)21-19(23)14-5-3-6-16(13-14)22-20(24)18-7-4-12-27-18/h3-13H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyCSHNNVVXOHIYKW-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.05
Rot. Bonds6

About N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 18140938) has the molecular formula C20H18N2O4S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID18140938
Molecular FormulaC20H18N2O4S2
Molecular Weight414.51 g/mol
Exact Mass414.07
IUPAC NameN-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C20H18N2O4S2/c1-2-28(25,26)17-10-8-15(9-11-17)21-19(23)14-5-3-6-16(13-14)22-20(24)18-7-4-12-27-18/h3-13H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyCSHNNVVXOHIYKW-UHFFFAOYSA-N
XLogP4.05
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide
CID 35781376
N-[3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 33027717
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119643191
N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 34368537
1-oxido-N-[3-(thiophene-2-carbonylamino)phenyl]pyridin-1-ium-3-carboxamide
CID 31518553
N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119524473
4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
CID 15384313
N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 2812289
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 78804636
N-[3-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55461069
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 18140938) is N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is CCS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1.
What is the InChIKey of N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is CSHNNVVXOHIYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S2/c1-2-28(25,26)17-10-8-15(9-11-17)21-19(23)14-5-3-6-16(13-14)22-20(24)18-7-4-12-27-18/h3-13H,2H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18140938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).