N-benzhydryl-N-methyl-2-methylsulfanylbenzamide

C22H21NOS — CID 4783727

IUPACN-benzhydryl-N-methyl-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NOS/c1-23(22(24)19-15-9-10-16-20(19)25-2)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,21H,1-2H3
InChIKeyVWQDTJFLHLZZFG-UHFFFAOYSA-N
MW347.48 g/mol
LogP5.27
Rot. Bonds5

About N-benzhydryl-N-methyl-2-methylsulfanylbenzamide

N-benzhydryl-N-methyl-2-methylsulfanylbenzamide (PubChem CID 4783727) has the molecular formula C22H21NOS and a molecular weight of 347.48 g/mol. Its IUPAC name is N-benzhydryl-N-methyl-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-benzhydryl-N-methyl-2-methylsulfanylbenzamide
PubChem CID4783727
Molecular FormulaC22H21NOS
Molecular Weight347.48 g/mol
Exact Mass347.13
IUPAC NameN-benzhydryl-N-methyl-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NOS/c1-23(22(24)19-15-9-10-16-20(19)25-2)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,21H,1-2H3
InChIKeyVWQDTJFLHLZZFG-UHFFFAOYSA-N
XLogP5.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-methyl-2-methylsulfanylbenzamide?
The IUPAC name of N-benzhydryl-N-methyl-2-methylsulfanylbenzamide (CID 4783727) is N-benzhydryl-N-methyl-2-methylsulfanylbenzamide.
What is the SMILES notation for N-benzhydryl-N-methyl-2-methylsulfanylbenzamide?
The canonical SMILES for N-benzhydryl-N-methyl-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)N(C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N-methyl-2-methylsulfanylbenzamide?
The InChIKey is VWQDTJFLHLZZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NOS/c1-23(22(24)19-15-9-10-16-20(19)25-2)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,21H,1-2H3.
What are the key properties of N-benzhydryl-N-methyl-2-methylsulfanylbenzamide?
N-benzhydryl-N-methyl-2-methylsulfanylbenzamide has a molecular weight of 347.48 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-methyl-2-methylsulfanylbenzamide is sourced from PubChem (CID 4783727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).