N-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide

C17H18ClNO3S — CID 9162789

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(CSC)c2)c(OC)cc1Cl
InChIInChI=1S/C17H18ClNO3S/c1-21-15-9-14(16(22-2)8-13(15)18)19-17(20)12-6-4-5-11(7-12)10-23-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyKKMJNFHKSRJAJU-UHFFFAOYSA-N
MW351.86 g/mol
LogP4.47
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide

N-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide (PubChem CID 9162789) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide
PubChem CID9162789
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(CSC)c2)c(OC)cc1Cl
InChIInChI=1S/C17H18ClNO3S/c1-21-15-9-14(16(22-2)8-13(15)18)19-17(20)12-6-4-5-11(7-12)10-23-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyKKMJNFHKSRJAJU-UHFFFAOYSA-N
XLogP4.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-3-(methylsulfanylmethyl)benzamide
CID 29371206
methyl 3-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 46485057
N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
CID 4060765
N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide
CID 8777447
3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 55770768
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
2-[[3-(methylsulfanylmethyl)benzoyl]amino]benzoic acid
CID 43353035
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(4-chloro-2,5-dimethoxyphenyl)benzamide
CID 43925690
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
3-(methylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483484
N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide
CID 26620629
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide (CID 9162789) is N-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide is COc1cc(NC(=O)c2cccc(CSC)c2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide?
The InChIKey is KKMJNFHKSRJAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-21-15-9-14(16(22-2)8-13(15)18)19-17(20)12-6-4-5-11(7-12)10-23-3/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide has a molecular weight of 351.86 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 9162789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).