3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide

C21H22N2O4S2 — CID 46391656

IUPAC3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H22N2O4S2/c1-3-27-17-11-9-16(10-12-17)15-22-21(24)20-19(13-14-28-20)23(2)29(25,26)18-7-5-4-6-8-18/h4-14H,3,15H2,1-2H3,(H,22,24)
InChIKeyMGAGCWAFUJSCOY-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.90
Rot. Bonds8

About 3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide

3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 46391656) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID46391656
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC Name3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H22N2O4S2/c1-3-27-17-11-9-16(10-12-17)15-22-21(24)20-19(13-14-28-20)23(2)29(25,26)18-7-5-4-6-8-18/h4-14H,3,15H2,1-2H3,(H,22,24)
InChIKeyMGAGCWAFUJSCOY-UHFFFAOYSA-N
XLogP3.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391672
N-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide
CID 52940435
N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391674
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)sulfonyl-methylamino]thiophene-2-carboxamide
CID 46391702
3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 51364501
ethyl 3-[[3-[benzenesulfonyl(methyl)amino]thiophene-2-carbonyl]amino]benzoate
CID 46391728
3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46391720
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]benzamide
CID 99940224
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30304403
3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide
CID 46391668
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 6620763
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 55335445

Frequently Asked Questions

What is the IUPAC name of 3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide (CID 46391656) is 3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide is CCOc1ccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is MGAGCWAFUJSCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c1-3-27-17-11-9-16(10-12-17)15-22-21(24)20-19(13-14-28-20)23(2)29(25,26)18-7-5-4-6-8-18/h4-14H,3,15H2,1-2H3,(H,22,24).
What are the key properties of 3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide?
3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46391656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).