N-[5-(cyclopropylsulfamoyl)-2-hydroxyphenyl]-6-fluoro-3-methyl-1-benzothiophene-2-carboxamide

C19H17FN2O4S2 — CID 167769744

IUPACN-[5-(cyclopropylsulfamoyl)-2-hydroxyphenyl]-6-fluoro-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2O)sc2cc(F)ccc12
InChIInChI=1S/C19H17FN2O4S2/c1-10-14-6-2-11(20)8-17(14)27-18(10)19(24)21-15-9-13(5-7-16(15)23)28(25,26)22-12-3-4-12/h2,5-9,12,22-23H,3-4H2,1H3,(H,21,24)
InChIKeyYLKYCMSEMJCXBC-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.75
Rot. Bonds5

About N-[5-(cyclopropylsulfamoyl)-2-hydroxyphenyl]-6-fluoro-3-methyl-1-benzothiophene-2-carboxamide

N-[5-(cyclopropylsulfamoyl)-2-hydroxyphenyl]-6-fluoro-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 167769744) has the molecular formula C19H17FN2O4S2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[5-(cyclopropylsulfamoyl)-2-hydroxyphenyl]-6-fluoro-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylsulfamoyl)-2-hydroxyphenyl]-6-fluoro-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID167769744
Molecular FormulaC19H17FN2O4S2
Molecular Weight420.49 g/mol
Exact Mass420.06
IUPAC NameN-[5-(cyclopropylsulfamoyl)-2-hydroxyphenyl]-6-fluoro-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2O)sc2cc(F)ccc12
InChIInChI=1S/C19H17FN2O4S2/c1-10-14-6-2-11(20)8-17(14)27-18(10)19(24)21-15-9-13(5-7-16(15)23)28(25,26)22-12-3-4-12/h2,5-9,12,22-23H,3-4H2,1H3,(H,21,24)
InChIKeyYLKYCMSEMJCXBC-UHFFFAOYSA-N
XLogP3.75
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[2-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide
CID 56503522
4-(cyclopropylsulfamoyl)-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32611210
3-chloro-6-fluoro-N-(2-hydroxy-4-methylphenyl)-1-benzothiophene-2-carboxamide
CID 16573611
N-[4-(cyclopentylsulfamoyl)phenyl]-5-fluoro-2-methylbenzamide
CID 119045157
5-(cyclopropylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 78831657
methyl 3-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxylate
CID 59625710
N-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
CID 3452162
3-chloro-6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
CID 46419737
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229
5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 4102001
3-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 31618494
4-(cyclopropylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 17496941

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-hydroxyphenyl]-6-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-hydroxyphenyl]-6-fluoro-3-methyl-1-benzothiophene-2-carboxamide (CID 167769744) is N-[5-(cyclopropylsulfamoyl)-2-hydroxyphenyl]-6-fluoro-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylsulfamoyl)-2-hydroxyphenyl]-6-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[5-(cyclopropylsulfamoyl)-2-hydroxyphenyl]-6-fluoro-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2O)sc2cc(F)ccc12.
What is the InChIKey of N-[5-(cyclopropylsulfamoyl)-2-hydroxyphenyl]-6-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is YLKYCMSEMJCXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S2/c1-10-14-6-2-11(20)8-17(14)27-18(10)19(24)21-15-9-13(5-7-16(15)23)28(25,26)22-12-3-4-12/h2,5-9,12,22-23H,3-4H2,1H3,(H,21,24).
What are the key properties of N-[5-(cyclopropylsulfamoyl)-2-hydroxyphenyl]-6-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
N-[5-(cyclopropylsulfamoyl)-2-hydroxyphenyl]-6-fluoro-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylsulfamoyl)-2-hydroxyphenyl]-6-fluoro-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 167769744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).