5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide

C20H20N2O4S2 — CID 27006016

IUPAC5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C20H20N2O4S2/c1-28(24,25)21-14-13-18-11-12-19(27-18)20(23)22-15-7-9-17(10-8-15)26-16-5-3-2-4-6-16/h2-12,21H,13-14H2,1H3,(H,22,23)
InChIKeyGUFMAOLCILYDOJ-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.88
Rot. Bonds8

About 5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide

5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide (PubChem CID 27006016) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
PubChem CID27006016
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C20H20N2O4S2/c1-28(24,25)21-14-13-18-11-12-19(27-18)20(23)22-15-7-9-17(10-8-15)26-16-5-3-2-4-6-16/h2-12,21H,13-14H2,1H3,(H,22,23)
InChIKeyGUFMAOLCILYDOJ-UHFFFAOYSA-N
XLogP3.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide
CID 27006017
N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27285772
2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid
CID 119353163
N-[6-(dimethylamino)-3-pyridinyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 17489969
methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate
CID 38764463
[2-(4-hydroxyanilino)-2-oxoethyl] 5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxylate
CID 46648550
N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 17409937
N-(4-fluoro-2-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27286968
N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 46523672
N-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide
CID 27007642
5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide
CID 39446434
5-ethyl-4-methyl-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 7914877

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide (CID 27006016) is 5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide is CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)s1.
What is the InChIKey of 5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide?
The InChIKey is GUFMAOLCILYDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-28(24,25)21-14-13-18-11-12-19(27-18)20(23)22-15-7-9-17(10-8-15)26-16-5-3-2-4-6-16/h2-12,21H,13-14H2,1H3,(H,22,23).
What are the key properties of 5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide?
5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 27006016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).