N-(3,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide

C20H18FNO5S2 — CID 166365981

IUPACN-(3,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1cc(OC)cc(S(=O)(=O)NC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)c1
InChIInChI=1S/C20H18FNO5S2/c1-12-18(13-4-6-14(21)7-5-13)11-19(28-12)20(23)22-29(24,25)17-9-15(26-2)8-16(10-17)27-3/h4-11H,1-3H3,(H,22,23)
InChIKeyJYKHNWOFBGSQIX-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.00
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide

N-(3,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide (PubChem CID 166365981) has the molecular formula C20H18FNO5S2 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
PubChem CID166365981
Molecular FormulaC20H18FNO5S2
Molecular Weight435.50 g/mol
Exact Mass435.06
IUPAC NameN-(3,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1cc(OC)cc(S(=O)(=O)NC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)c1
InChIInChI=1S/C20H18FNO5S2/c1-12-18(13-4-6-14(21)7-5-13)11-19(28-12)20(23)22-29(24,25)17-9-15(26-2)8-16(10-17)27-3/h4-11H,1-3H3,(H,22,23)
InChIKeyJYKHNWOFBGSQIX-UHFFFAOYSA-N
XLogP4.00
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(3-Hydroxyprop-1-Yn-1-Yl)thiophen-2-Yl]-2,4-Dimethoxy-N-[(3-Methoxyphenyl)sulfonyl]benzamide
CID 121232415
3-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 177852705
N-[5-(benzenesulfinyl)thiophen-2-yl]sulfonyl-4-(difluoromethoxy)benzamide
CID 144186031
N-(5-benzylsulfanyl-4-methylthiophen-2-yl)sulfonyl-4-(difluoromethoxy)benzamide
CID 163726997
5-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide
CID 9241021
N'-(3,4-dimethoxyphenyl)sulfonyl-5-(4-fluorophenyl)thiophene-2-carbohydrazide
CID 17538630
N'-[3-(3,5-dimethoxyphenyl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide
CID 27164375
N'-(2,5-dimethoxyphenyl)sulfonyl-5-(4-fluorophenyl)thiophene-2-carbohydrazide
CID 29099832
N-((5-benzoylthiophen-2-yl)methyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 72717654
N-((5-benzoylthiophen-2-yl)methyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 90613033
N-((5-benzoylthiophen-2-yl)methyl)-4-ethoxy-3-fluorobenzenesulfonamide
CID 90613051
4-fluoro-N-(3-methoxyphenyl)sulfonyl-3-(methylsulfanylmethyl)benzamide
CID 155949555

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide (CID 166365981) is N-(3,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide is COc1cc(OC)cc(S(=O)(=O)NC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is JYKHNWOFBGSQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO5S2/c1-12-18(13-4-6-14(21)7-5-13)11-19(28-12)20(23)22-29(24,25)17-9-15(26-2)8-16(10-17)27-3/h4-11H,1-3H3,(H,22,23).
What are the key properties of N-(3,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
N-(3,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 166365981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).