N-[(3-chlorophenyl)methyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

C19H17ClN2OS2 — CID 36705049

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1ccccc1SCc1cscn1
InChIInChI=1S/C19H17ClN2OS2/c1-22(10-14-5-4-6-15(20)9-14)19(23)17-7-2-3-8-18(17)25-12-16-11-24-13-21-16/h2-9,11,13H,10,12H2,1H3
InChIKeyHWVKZMKJJYUTFO-UHFFFAOYSA-N
MW388.95 g/mol
LogP5.36
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

N-[(3-chlorophenyl)methyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 36705049) has the molecular formula C19H17ClN2OS2 and a molecular weight of 388.95 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID36705049
Molecular FormulaC19H17ClN2OS2
Molecular Weight388.95 g/mol
Exact Mass388.05
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1ccccc1SCc1cscn1
InChIInChI=1S/C19H17ClN2OS2/c1-22(10-14-5-4-6-15(20)9-14)19(23)17-7-2-3-8-18(17)25-12-16-11-24-13-21-16/h2-9,11,13H,10,12H2,1H3
InChIKeyHWVKZMKJJYUTFO-UHFFFAOYSA-N
XLogP5.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.95
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(naphthalen-2-ylmethyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36717274
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 38621418
N-[(3-chlorophenyl)methyl]-N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55332451
N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 33283315
2-[2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119182649
N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 47021185
N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
CID 55555197
N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 63048898
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46456480
(3,5-dimethylphenyl)methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 18206166
N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62179082
2-amino-3-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 115540200

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 36705049) is N-[(3-chlorophenyl)methyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is CN(Cc1cccc(Cl)c1)C(=O)c1ccccc1SCc1cscn1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is HWVKZMKJJYUTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2OS2/c1-22(10-14-5-4-6-15(20)9-14)19(23)17-7-2-3-8-18(17)25-12-16-11-24-13-21-16/h2-9,11,13H,10,12H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-[(3-chlorophenyl)methyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 388.95 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 36705049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).