N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide

C16H16ClNOS — CID 9209764

IUPACN-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide
SMILESCSCc1cccc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNOS/c1-20-11-12-5-4-7-13(9-12)16(19)18-10-14-6-2-3-8-15(14)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeySSCDHNXZNXJAQX-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.13
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide

N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide (PubChem CID 9209764) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide
PubChem CID9209764
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide
SMILESCSCc1cccc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNOS/c1-20-11-12-5-4-7-13(9-12)16(19)18-10-14-6-2-3-8-15(14)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeySSCDHNXZNXJAQX-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054733
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054654
3-(methylsulfanylmethyl)-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114182043
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
N-[(2-chlorophenyl)methyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43924169
N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide
CID 17194215
3-(methylsulfanylmethyl)-N-prop-2-enylbenzamide
CID 60667719
3-(methylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483484
(2S)-2-hydroxy-3-[[3-(methylsulfanylmethyl)benzoyl]amino]propanoic acid
CID 114006434
N-(3-hydroxy-2-methylpropyl)-3-(methylsulfanylmethyl)benzamide
CID 65031487

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide (CID 9209764) is N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide is CSCc1cccc(C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide?
The InChIKey is SSCDHNXZNXJAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-20-11-12-5-4-7-13(9-12)16(19)18-10-14-6-2-3-8-15(14)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide?
N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide has a molecular weight of 305.83 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 9209764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).