N-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

C18H15ClN2O2S2 — CID 24630620

IUPACN-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(SCc3cscn3)cc2)cc1Cl
InChIInChI=1S/C18H15ClN2O2S2/c1-23-17-7-4-13(8-16(17)19)21-18(22)12-2-5-15(6-3-12)25-10-14-9-24-11-20-14/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyZRUIEINAIQHCPJ-UHFFFAOYSA-N
MW390.92 g/mol
LogP5.35
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

N-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 24630620) has the molecular formula C18H15ClN2O2S2 and a molecular weight of 390.92 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID24630620
Molecular FormulaC18H15ClN2O2S2
Molecular Weight390.92 g/mol
Exact Mass390.03
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(SCc3cscn3)cc2)cc1Cl
InChIInChI=1S/C18H15ClN2O2S2/c1-23-17-7-4-13(8-16(17)19)21-18(22)12-2-5-15(6-3-12)25-10-14-9-24-11-20-14/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyZRUIEINAIQHCPJ-UHFFFAOYSA-N
XLogP5.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.92
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24651533
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 30599996
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630862
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide
CID 24616144
4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043950
N-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630722
N-(4-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577321
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 24630620) is N-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is COc1ccc(NC(=O)c2ccc(SCc3cscn3)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is ZRUIEINAIQHCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S2/c1-23-17-7-4-13(8-16(17)19)21-18(22)12-2-5-15(6-3-12)25-10-14-9-24-11-20-14/h2-9,11H,10H2,1H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 390.92 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 24630620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).