N-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide

C14H12Cl2N2O2S — CID 2353143

IUPACN-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2O2S/c1-20-12-6-9(21-2)3-4-10(12)14(19)18-13-11(16)5-8(15)7-17-13/h3-7H,1-2H3,(H,17,18,19)
InChIKeyWSHNWWOIVODKOD-UHFFFAOYSA-N
MW343.24 g/mol
LogP4.37
Rot. Bonds4

About N-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide

N-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 2353143) has the molecular formula C14H12Cl2N2O2S and a molecular weight of 343.24 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide
PubChem CID2353143
Molecular FormulaC14H12Cl2N2O2S
Molecular Weight343.24 g/mol
Exact Mass342.00
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2O2S/c1-20-12-6-9(21-2)3-4-10(12)14(19)18-13-11(16)5-8(15)7-17-13/h3-7H,1-2H3,(H,17,18,19)
InChIKeyWSHNWWOIVODKOD-UHFFFAOYSA-N
XLogP4.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 842703
2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
CID 669888
N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 2995158
S-methyl N-(3,5-dichloro-2-pyridinyl)carbamothioate
CID 87838372
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 3527089
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 26907621
2-methoxy-4-methylsulfanyl-N-propylbenzamide
CID 2271058
N-(1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide
CID 3512534
N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide
CID 2124983
N-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide
CID 670804
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide
CID 885094
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 7768942

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide (CID 2353143) is N-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is WSHNWWOIVODKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2S/c1-20-12-6-9(21-2)3-4-10(12)14(19)18-13-11(16)5-8(15)7-17-13/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide?
N-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 343.24 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 2353143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).