6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide

C17H15N3O3S — CID 11210016

IUPAC6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide
SMILESCc1ccc(NC(=O)Nc2sc3cc(O)ccc3c2C(N)=O)cc1
InChIInChI=1S/C17H15N3O3S/c1-9-2-4-10(5-3-9)19-17(23)20-16-14(15(18)22)12-7-6-11(21)8-13(12)24-16/h2-8,21H,1H3,(H2,18,22)(H2,19,20,23)
InChIKeyXMAAIELMQMXGSE-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.66
Rot. Bonds3

About 6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide

6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide (PubChem CID 11210016) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide
PubChem CID11210016
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide
SMILESCc1ccc(NC(=O)Nc2sc3cc(O)ccc3c2C(N)=O)cc1
InChIInChI=1S/C17H15N3O3S/c1-9-2-4-10(5-3-9)19-17(23)20-16-14(15(18)22)12-7-6-11(21)8-13(12)24-16/h2-8,21H,1H3,(H2,18,22)(H2,19,20,23)
InChIKeyXMAAIELMQMXGSE-UHFFFAOYSA-N
XLogP3.66
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)carbamoylamino]-6-methyl-1-benzothiophene-3-carboxamide
CID 11281142
2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide
CID 11380311
4-(4-fluorophenyl)-5-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxamide
CID 4075749
1-(7-chlorothieno[2,3-f][1,3]benzodioxol-6-yl)-3-(4-methylphenyl)urea
CID 10713582
2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide
CID 118729460
1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea
CID 64787940
ethyl 5-acetyl-4-methyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate
CID 19165568
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
5,7-dichloro-2-[(3-chloro-4-fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide
CID 118975311
2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide
CID 69447147
1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea
CID 82862192
1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 168974118

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide (CID 11210016) is 6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide is Cc1ccc(NC(=O)Nc2sc3cc(O)ccc3c2C(N)=O)cc1.
What is the InChIKey of 6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide?
The InChIKey is XMAAIELMQMXGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-9-2-4-10(5-3-9)19-17(23)20-16-14(15(18)22)12-7-6-11(21)8-13(12)24-16/h2-8,21H,1H3,(H2,18,22)(H2,19,20,23).
What are the key properties of 6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide?
6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 11210016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).