4-methoxy-N-(methyl-oxo-thiophen-3-yl-λ6-sulfanylidene)benzamide

C13H13NO3S2 — CID 51709019

IUPAC4-methoxy-N-(methyl-oxo-thiophen-3-yl-λ6-sulfanylidene)benzamide
SMILESCOc1ccc(C(=O)N=[S@@](C)(=O)c2ccsc2)cc1
InChIInChI=1S/C13H13NO3S2/c1-17-11-5-3-10(4-6-11)13(15)14-19(2,16)12-7-8-18-9-12/h3-9H,1-2H3/t19-/m0/s1
InChIKeyKMJQLEAXXXJLGJ-IBGZPJMESA-N
MW295.39 g/mol
LogP3.05
Rot. Bonds3

About 4-methoxy-N-(methyl-oxo-thiophen-3-yl-λ6-sulfanylidene)benzamide

4-methoxy-N-(methyl-oxo-thiophen-3-yl-λ6-sulfanylidene)benzamide (PubChem CID 51709019) has the molecular formula C13H13NO3S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-methoxy-N-(methyl-oxo-thiophen-3-yl-λ6-sulfanylidene)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(methyl-oxo-thiophen-3-yl-λ6-sulfanylidene)benzamide
PubChem CID51709019
Molecular FormulaC13H13NO3S2
Molecular Weight295.39 g/mol
Exact Mass295.03
IUPAC Name4-methoxy-N-(methyl-oxo-thiophen-3-yl-λ6-sulfanylidene)benzamide
SMILESCOc1ccc(C(=O)N=[S@@](C)(=O)c2ccsc2)cc1
InChIInChI=1S/C13H13NO3S2/c1-17-11-5-3-10(4-6-11)13(15)14-19(2,16)12-7-8-18-9-12/h3-9H,1-2H3/t19-/m0/s1
InChIKeyKMJQLEAXXXJLGJ-IBGZPJMESA-N
XLogP3.05
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-thiophen-3-ylsulfonylcarbamate
CID 23445473
1-(4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one
CID 75647170
2,2,2-trifluoro-N-[[4-(4-methoxyphenyl)phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide
CID 134957212
N-[(3,5-dichlorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-[2-(4-methoxyphenyl)ethynyl]pyridine-3-carboxamide
CID 87165302
[4-[4-(4-methoxybenzoyl)oxyphenyl]sulfonylphenyl] 4-methoxybenzoate
CID 2379395
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] methanesulfonate
CID 13311957
(4-methylsulfonylphenyl) 2-(4-methoxyphenyl)-2-oxoacetate
CID 58981556
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one
CID 173327483
(4-methoxyphenyl)-tris(4-methoxybenzoyl)germylmethanone
CID 140911136
5-[2-(2-methoxyphenyl)ethynyl]-N-[(4-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]pyridine-3-carboxamide
CID 87165066
(4-methoxyphenyl)-oxomethanesulfonyl chloride
CID 21104949

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(methyl-oxo-thiophen-3-yl-λ6-sulfanylidene)benzamide?
The IUPAC name of 4-methoxy-N-(methyl-oxo-thiophen-3-yl-λ6-sulfanylidene)benzamide (CID 51709019) is 4-methoxy-N-(methyl-oxo-thiophen-3-yl-λ6-sulfanylidene)benzamide.
What is the SMILES notation for 4-methoxy-N-(methyl-oxo-thiophen-3-yl-λ6-sulfanylidene)benzamide?
The canonical SMILES for 4-methoxy-N-(methyl-oxo-thiophen-3-yl-λ6-sulfanylidene)benzamide is COc1ccc(C(=O)N=[S@@](C)(=O)c2ccsc2)cc1.
What is the InChIKey of 4-methoxy-N-(methyl-oxo-thiophen-3-yl-λ6-sulfanylidene)benzamide?
The InChIKey is KMJQLEAXXXJLGJ-IBGZPJMESA-N. The full InChI is InChI=1S/C13H13NO3S2/c1-17-11-5-3-10(4-6-11)13(15)14-19(2,16)12-7-8-18-9-12/h3-9H,1-2H3/t19-/m0/s1.
What are the key properties of 4-methoxy-N-(methyl-oxo-thiophen-3-yl-λ6-sulfanylidene)benzamide?
4-methoxy-N-(methyl-oxo-thiophen-3-yl-λ6-sulfanylidene)benzamide has a molecular weight of 295.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(methyl-oxo-thiophen-3-yl-λ6-sulfanylidene)benzamide is sourced from PubChem (CID 51709019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).