N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide

C21H22N2O3S2 — CID 46391737

IUPACN-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
SMILESCCc1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H22N2O3S2/c1-4-16-7-9-17(10-8-16)22-21(24)20-19(13-14-27-20)23(3)28(25,26)18-11-5-15(2)6-12-18/h5-14H,4H2,1-3H3,(H,22,24)
InChIKeyPTZKMQKKTUPQFW-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.70
Rot. Bonds6

About N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide

N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide (PubChem CID 46391737) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
PubChem CID46391737
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC NameN-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
SMILESCCc1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H22N2O3S2/c1-4-16-7-9-17(10-8-16)22-21(24)20-19(13-14-27-20)23(3)28(25,26)18-11-5-15(2)6-12-18/h5-14H,4H2,1-3H3,(H,22,24)
InChIKeyPTZKMQKKTUPQFW-UHFFFAOYSA-N
XLogP4.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391736
N-[(4-ethylphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391672
N-(3-methoxyphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391741
3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide
CID 46391668
N-(4-ethylphenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 30849021
N-(4-ethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788011
ethyl 3-[[3-[benzenesulfonyl(methyl)amino]thiophene-2-carbonyl]amino]benzoate
CID 46391728
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 40735304
N-[4-(dimethylamino)phenyl]-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 50928103
3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 61089660
N-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide
CID 52940435
N-(4-ethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1265486

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide (CID 46391737) is N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide is CCc1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
The InChIKey is PTZKMQKKTUPQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-4-16-7-9-17(10-8-16)22-21(24)20-19(13-14-27-20)23(3)28(25,26)18-11-5-15(2)6-12-18/h5-14H,4H2,1-3H3,(H,22,24).
What are the key properties of N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide is sourced from PubChem (CID 46391737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).