N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide

C18H17FN2O4S2 — CID 8838723

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C18H17FN2O4S2/c1-21(2)27(23,24)11-7-8-15(25-3)14(9-11)20-18(22)17-10-12-13(19)5-4-6-16(12)26-17/h4-10H,1-3H3,(H,20,22)
InChIKeyVQRMUDIPLORZCE-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.55
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 8838723) has the molecular formula C18H17FN2O4S2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
PubChem CID8838723
Molecular FormulaC18H17FN2O4S2
Molecular Weight408.48 g/mol
Exact Mass408.06
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C18H17FN2O4S2/c1-21(2)27(23,24)11-7-8-15(25-3)14(9-11)20-18(22)17-10-12-13(19)5-4-6-16(12)26-17/h4-10H,1-3H3,(H,20,22)
InChIKeyVQRMUDIPLORZCE-UHFFFAOYSA-N
XLogP3.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 31509000
4-fluoro-N-(2-fluoro-5-methylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 31931032
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677
(5R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 8838693
N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 46650848
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide
CID 7921738
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide
CID 26901213
3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750690
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methoxy-5-methylbenzamide
CID 9047184
4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 36679235

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide (CID 8838723) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(F)cccc2s1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is VQRMUDIPLORZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S2/c1-21(2)27(23,24)11-7-8-15(25-3)14(9-11)20-18(22)17-10-12-13(19)5-4-6-16(12)26-17/h4-10H,1-3H3,(H,20,22).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 8838723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).