2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide

C24H25ClN2OS — CID 24661064

IUPAC2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C24H25ClN2OS/c1-27(2)16-17-8-10-18(11-9-17)21-7-5-4-6-19(21)15-26-24(28)22-14-20(29-3)12-13-23(22)25/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyZZZZULKTCIEYFF-UHFFFAOYSA-N
MW425.00 g/mol
LogP5.72
Rot. Bonds7

About 2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide

2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide (PubChem CID 24661064) has the molecular formula C24H25ClN2OS and a molecular weight of 425.00 g/mol. Its IUPAC name is 2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide
PubChem CID24661064
Molecular FormulaC24H25ClN2OS
Molecular Weight425.00 g/mol
Exact Mass424.14
IUPAC Name2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C24H25ClN2OS/c1-27(2)16-17-8-10-18(11-9-17)21-7-5-4-6-19(21)15-26-24(28)22-14-20(29-3)12-13-23(22)25/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyZZZZULKTCIEYFF-UHFFFAOYSA-N
XLogP5.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.00
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide
CID 26692390
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-methoxybenzamide
CID 24661049
4-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-nitrobenzamide
CID 24661051
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]pyridine-2-carboxamide
CID 47021287
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 55549176
2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylsulfanylbenzamide
CID 63311148
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
CID 55549057
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 24661038
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55549362
2,4-dichloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-fluorobenzamide
CID 26953077
N-[3-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 38260333
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19288805

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide (CID 24661064) is 2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)c1.
What is the InChIKey of 2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide?
The InChIKey is ZZZZULKTCIEYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2OS/c1-27(2)16-17-8-10-18(11-9-17)21-7-5-4-6-19(21)15-26-24(28)22-14-20(29-3)12-13-23(22)25/h4-14H,15-16H2,1-3H3,(H,26,28).
What are the key properties of 2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide?
2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide has a molecular weight of 425.00 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide is sourced from PubChem (CID 24661064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).