2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide

C19H17N3O2S — CID 155516174

IUPAC2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide
SMILESCOc1ccccc1NC(=O)c1c(N)cccc1Sc1ccncc1
InChIInChI=1S/C19H17N3O2S/c1-24-16-7-3-2-6-15(16)22-19(23)18-14(20)5-4-8-17(18)25-13-9-11-21-12-10-13/h2-12H,20H2,1H3,(H,22,23)
InChIKeyUJFSMHLIFIVJMO-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.08
Rot. Bonds5

About 2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide

2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide (PubChem CID 155516174) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide
PubChem CID155516174
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide
SMILESCOc1ccccc1NC(=O)c1c(N)cccc1Sc1ccncc1
InChIInChI=1S/C19H17N3O2S/c1-24-16-7-3-2-6-15(16)22-19(23)18-14(20)5-4-8-17(18)25-13-9-11-21-12-10-13/h2-12H,20H2,1H3,(H,22,23)
InChIKeyUJFSMHLIFIVJMO-UHFFFAOYSA-N
XLogP4.08
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-amino-2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfanylbenzoic acid
CID 71811804
2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;sulfuric acid
CID 118387004
[2-[[2-amino-6-(4-aminophenyl)sulfanylbenzoyl]amino]phenyl] methanesulfonate
CID 139439223
2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 81420850
2-amino-6-bromo-N-(2-methoxyphenyl)benzamide
CID 118386970
2-amino-6-methoxy-N-pyridin-4-ylbenzamide
CID 81410012
2-amino-6-methoxy-N-(2-methylphenyl)benzamide
CID 81410704
2-(carbamoylamino)-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;hydrochloride
CID 141328022
2-amino-N-(2-chloro-3-pyridinyl)-6-methoxybenzamide
CID 81421056
2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;dihydrochloride
CID 162240361
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
3-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 43299506

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide?
The IUPAC name of 2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide (CID 155516174) is 2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide.
What is the SMILES notation for 2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide?
The canonical SMILES for 2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide is COc1ccccc1NC(=O)c1c(N)cccc1Sc1ccncc1.
What is the InChIKey of 2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide?
The InChIKey is UJFSMHLIFIVJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-24-16-7-3-2-6-15(16)22-19(23)18-14(20)5-4-8-17(18)25-13-9-11-21-12-10-13/h2-12H,20H2,1H3,(H,22,23).
What are the key properties of 2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide?
2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide has a molecular weight of 351.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide is sourced from PubChem (CID 155516174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).