4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide

C21H18ClNOS — CID 2271018

IUPAC4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(CSCc2ccccc2)cc1
InChIInChI=1S/C21H18ClNOS/c22-19-7-4-8-20(13-19)23-21(24)18-11-9-17(10-12-18)15-25-14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,23,24)
InChIKeyVWVAVULGNACCGY-UHFFFAOYSA-N
MW367.90 g/mol
LogP6.03
Rot. Bonds6

About 4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide

4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide (PubChem CID 2271018) has the molecular formula C21H18ClNOS and a molecular weight of 367.90 g/mol. Its IUPAC name is 4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide.

Molecular Properties

Compound Name4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide
PubChem CID2271018
Molecular FormulaC21H18ClNOS
Molecular Weight367.90 g/mol
Exact Mass367.08
IUPAC Name4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(CSCc2ccccc2)cc1
InChIInChI=1S/C21H18ClNOS/c22-19-7-4-8-20(13-19)23-21(24)18-11-9-17(10-12-18)15-25-14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,23,24)
InChIKeyVWVAVULGNACCGY-UHFFFAOYSA-N
XLogP6.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.90
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 3097669
N-(3-chlorophenyl)-4-(nitromethyl)benzamide
CID 57301971
N-(3-chlorophenyl)-3-(methylsulfanylmethyl)benzamide
CID 8777105
N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide
CID 46435319
N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
CID 112766684
4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide
CID 46385848
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide
CID 155202146
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide
CID 1194953
4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047778
(2S)-2-benzylsulfanyl-N-(3-chlorophenyl)propanamide
CID 846629
4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-phenylbenzamide
CID 46675739

Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide?
The IUPAC name of 4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide (CID 2271018) is 4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide.
What is the SMILES notation for 4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide?
The canonical SMILES for 4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide is O=C(Nc1cccc(Cl)c1)c1ccc(CSCc2ccccc2)cc1.
What is the InChIKey of 4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide?
The InChIKey is VWVAVULGNACCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNOS/c22-19-7-4-8-20(13-19)23-21(24)18-11-9-17(10-12-18)15-25-14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,23,24).
What are the key properties of 4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide?
4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide has a molecular weight of 367.90 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide is sourced from PubChem (CID 2271018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).