3-amino-2-(4-methoxyphenyl)sulfanylbenzamide

C14H14N2O2S — CID 112580007

IUPAC3-amino-2-(4-methoxyphenyl)sulfanylbenzamide
SMILESCOc1ccc(Sc2c(N)cccc2C(N)=O)cc1
InChIInChI=1S/C14H14N2O2S/c1-18-9-5-7-10(8-6-9)19-13-11(14(16)17)3-2-4-12(13)15/h2-8H,15H2,1H3,(H2,16,17)
InChIKeyWEQUWYKVUDVPKU-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.53
Rot. Bonds4

About 3-amino-2-(4-methoxyphenyl)sulfanylbenzamide

3-amino-2-(4-methoxyphenyl)sulfanylbenzamide (PubChem CID 112580007) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 3-amino-2-(4-methoxyphenyl)sulfanylbenzamide.

Molecular Properties

Compound Name3-amino-2-(4-methoxyphenyl)sulfanylbenzamide
PubChem CID112580007
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name3-amino-2-(4-methoxyphenyl)sulfanylbenzamide
SMILESCOc1ccc(Sc2c(N)cccc2C(N)=O)cc1
InChIInChI=1S/C14H14N2O2S/c1-18-9-5-7-10(8-6-9)19-13-11(14(16)17)3-2-4-12(13)15/h2-8H,15H2,1H3,(H2,16,17)
InChIKeyWEQUWYKVUDVPKU-UHFFFAOYSA-N
XLogP2.53
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-naphthalen-2-ylsulfanylbenzamide
CID 115935939
methyl 3-amino-2-(4-chlorophenyl)sulfanylbenzoate
CID 112579969
S-(4-methoxyphenyl) 2-aminobenzenecarbothioate
CID 102448989
2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide
CID 114195744
3-amino-2-naphthalen-2-ylsulfanylbenzoic acid
CID 115935940
3-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide
CID 112580243
methyl 3-amino-2-(3,4-dichlorophenyl)sulfanylbenzoate
CID 115935997
5-amino-3-chloro-2-(3-methoxyphenyl)sulfanylbenzamide
CID 107198405
3-amino-2-(4-methoxy-N-methylanilino)benzoic acid
CID 115934754
methyl 3-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzoate
CID 115935930
2-amino-5-methoxybenzamide;ethane
CID 142071126
3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide
CID 112580185

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-methoxyphenyl)sulfanylbenzamide?
The IUPAC name of 3-amino-2-(4-methoxyphenyl)sulfanylbenzamide (CID 112580007) is 3-amino-2-(4-methoxyphenyl)sulfanylbenzamide.
What is the SMILES notation for 3-amino-2-(4-methoxyphenyl)sulfanylbenzamide?
The canonical SMILES for 3-amino-2-(4-methoxyphenyl)sulfanylbenzamide is COc1ccc(Sc2c(N)cccc2C(N)=O)cc1.
What is the InChIKey of 3-amino-2-(4-methoxyphenyl)sulfanylbenzamide?
The InChIKey is WEQUWYKVUDVPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-18-9-5-7-10(8-6-9)19-13-11(14(16)17)3-2-4-12(13)15/h2-8H,15H2,1H3,(H2,16,17).
What are the key properties of 3-amino-2-(4-methoxyphenyl)sulfanylbenzamide?
3-amino-2-(4-methoxyphenyl)sulfanylbenzamide has a molecular weight of 274.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-methoxyphenyl)sulfanylbenzamide is sourced from PubChem (CID 112580007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).