N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide

C16H16ClNO3S — CID 167835973

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide
SMILESCOc1ccc(Cl)cc1CNC(=O)c1ccc(S(C)=O)cc1
InChIInChI=1S/C16H16ClNO3S/c1-21-15-8-5-13(17)9-12(15)10-18-16(19)11-3-6-14(7-4-11)22(2)20/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyLDLXFCNFMYIACD-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.02
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide

N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide (PubChem CID 167835973) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide
PubChem CID167835973
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide
SMILESCOc1ccc(Cl)cc1CNC(=O)c1ccc(S(C)=O)cc1
InChIInChI=1S/C16H16ClNO3S/c1-21-15-8-5-13(17)9-12(15)10-18-16(19)11-3-6-14(7-4-11)22(2)20/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyLDLXFCNFMYIACD-UHFFFAOYSA-N
XLogP3.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110793489
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide
CID 60696773
N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 110787720
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 82110952
N-[(2,4-dichlorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21367878
1-[(5-chloro-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 47216838
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119735604
4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide
CID 110795201
(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119296049
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide
CID 115157863

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide (CID 167835973) is N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide is COc1ccc(Cl)cc1CNC(=O)c1ccc(S(C)=O)cc1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide?
The InChIKey is LDLXFCNFMYIACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-21-15-8-5-13(17)9-12(15)10-18-16(19)11-3-6-14(7-4-11)22(2)20/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide has a molecular weight of 337.83 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide is sourced from PubChem (CID 167835973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).