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

C21H22N2O3S2 — CID 46391736

IUPACN-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
SMILESCCc1cccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C21H22N2O3S2/c1-4-16-6-5-7-17(14-16)22-21(24)20-19(12-13-27-20)23(3)28(25,26)18-10-8-15(2)9-11-18/h5-14H,4H2,1-3H3,(H,22,24)
InChIKeyPAMHXQRSEMXCEQ-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.70
Rot. Bonds6

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

N-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide (PubChem CID 46391736) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
PubChem CID46391736
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC NameN-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
SMILESCCc1cccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C21H22N2O3S2/c1-4-16-6-5-7-17(14-16)22-21(24)20-19(12-13-27-20)23(3)28(25,26)18-10-8-15(2)9-11-18/h5-14H,4H2,1-3H3,(H,22,24)
InChIKeyPAMHXQRSEMXCEQ-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-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391737
N-(3-methoxyphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391741
N-[(4-ethylphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391672
ethyl 3-[[3-[benzenesulfonyl(methyl)amino]thiophene-2-carbonyl]amino]benzoate
CID 46391728
N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391674
3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide
CID 46391668
N-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide
CID 52940435
N-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 50834607
3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 25436428
N-(3-ethylphenyl)-4-methylsulfonylbenzamide
CID 26880057
N-(3-bromophenyl)-3-[(4-ethylphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 53061801
N-(3-methoxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 53061744

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide (CID 46391736) is N-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide is CCc1cccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
The InChIKey is PAMHXQRSEMXCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-4-16-6-5-7-17(14-16)22-21(24)20-19(12-13-27-20)23(3)28(25,26)18-10-8-15(2)9-11-18/h5-14H,4H2,1-3H3,(H,22,24).
What are the key properties of N-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
N-(3-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-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide is sourced from PubChem (CID 46391736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).