N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide

C15H14ClNO2S — CID 107037038

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1cccc(S)c1
InChIInChI=1S/C15H14ClNO2S/c1-19-14-7-3-6-13(16)12(14)9-17-15(18)10-4-2-5-11(20)8-10/h2-8,20H,9H2,1H3,(H,17,18)
InChIKeyFFUZRVIZFCXVDQ-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.57
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide

N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide (PubChem CID 107037038) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide
PubChem CID107037038
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1cccc(S)c1
InChIInChI=1S/C15H14ClNO2S/c1-19-14-7-3-6-13(16)12(14)9-17-15(18)10-4-2-5-11(20)8-10/h2-8,20H,9H2,1H3,(H,17,18)
InChIKeyFFUZRVIZFCXVDQ-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide
CID 103292680
N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107037030
N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide
CID 103528255
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 103293349
3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide
CID 107953670
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 103292717
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 99834698
(E)-N-[(2-chloro-6-methoxyphenyl)methyl]but-2-enamide
CID 103292106
4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 103293340

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide (CID 107037038) is N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide is COc1cccc(Cl)c1CNC(=O)c1cccc(S)c1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide?
The InChIKey is FFUZRVIZFCXVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-19-14-7-3-6-13(16)12(14)9-17-15(18)10-4-2-5-11(20)8-10/h2-8,20H,9H2,1H3,(H,17,18).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide?
N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide has a molecular weight of 307.80 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide is sourced from PubChem (CID 107037038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).