N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophene-6-carboxamide

C16H13NO4S — CID 46919228

IUPACN-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophene-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)C=C3)cc1
InChIInChI=1S/C16H13NO4S/c1-21-14-6-4-13(5-7-14)17-16(18)12-3-2-11-8-9-22(19,20)15(11)10-12/h2-10H,1H3,(H,17,18)
InChIKeyIVRAUHQFIWQYAC-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.71
Rot. Bonds3

About N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophene-6-carboxamide

N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophene-6-carboxamide (PubChem CID 46919228) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophene-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophene-6-carboxamide
PubChem CID46919228
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC NameN-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophene-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)C=C3)cc1
InChIInChI=1S/C16H13NO4S/c1-21-14-6-4-13(5-7-14)17-16(18)12-3-2-11-8-9-22(19,20)15(11)10-12/h2-10H,1H3,(H,17,18)
InChIKeyIVRAUHQFIWQYAC-UHFFFAOYSA-N
XLogP2.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 57392645
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4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
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methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-amino-3-methoxy-N-(4-methoxyphenyl)benzamide
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CID 44871411
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614337
N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophene-6-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophene-6-carboxamide (CID 46919228) is N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophene-6-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophene-6-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophene-6-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)C=C3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophene-6-carboxamide?
The InChIKey is IVRAUHQFIWQYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c1-21-14-6-4-13(5-7-14)17-16(18)12-3-2-11-8-9-22(19,20)15(11)10-12/h2-10H,1H3,(H,17,18).
What are the key properties of N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophene-6-carboxamide?
N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophene-6-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophene-6-carboxamide is sourced from PubChem (CID 46919228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).