N-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide

C22H20ClNOS — CID 5127187

IUPACN-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
SMILESCc1ccc(SCc2ccc(C(=O)NCc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C22H20ClNOS/c1-16-6-12-20(13-7-16)26-15-17-8-10-18(11-9-17)22(25)24-14-19-4-2-3-5-21(19)23/h2-13H,14-15H2,1H3,(H,24,25)
InChIKeySIPRXGUPNRWAPW-UHFFFAOYSA-N
MW381.93 g/mol
LogP5.87
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide

N-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide (PubChem CID 5127187) has the molecular formula C22H20ClNOS and a molecular weight of 381.93 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
PubChem CID5127187
Molecular FormulaC22H20ClNOS
Molecular Weight381.93 g/mol
Exact Mass381.10
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
SMILESCc1ccc(SCc2ccc(C(=O)NCc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C22H20ClNOS/c1-16-6-12-20(13-7-16)26-15-17-8-10-18(11-9-17)22(25)24-14-19-4-2-3-5-21(19)23/h2-13H,14-15H2,1H3,(H,24,25)
InChIKeySIPRXGUPNRWAPW-UHFFFAOYSA-N
XLogP5.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.93
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 28633540
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 46763987
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 126414923
N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide
CID 82178844
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide
CID 28632234
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043860
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 43908168
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 42009211
[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 138991708
1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891006
N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide
CID 9209764

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide (CID 5127187) is N-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide is Cc1ccc(SCc2ccc(C(=O)NCc3ccccc3Cl)cc2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The InChIKey is SIPRXGUPNRWAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNOS/c1-16-6-12-20(13-7-16)26-15-17-8-10-18(11-9-17)22(25)24-14-19-4-2-3-5-21(19)23/h2-13H,14-15H2,1H3,(H,24,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
N-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide has a molecular weight of 381.93 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 5127187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).