5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide

C17H14ClNO2S2 — CID 129354714

IUPAC5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)N[C@@H](c1ccsc1)c1cccs1
InChIInChI=1S/C17H14ClNO2S2/c1-21-14-5-4-12(18)9-13(14)17(20)19-16(11-6-8-22-10-11)15-3-2-7-23-15/h2-10,16H,1H3,(H,19,20)/t16-/m0/s1
InChIKeyJTVIQKXBLFISOF-INIZCTEOSA-N
MW363.89 g/mol
LogP4.99
Rot. Bonds5

About 5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide

5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide (PubChem CID 129354714) has the molecular formula C17H14ClNO2S2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
PubChem CID129354714
Molecular FormulaC17H14ClNO2S2
Molecular Weight363.89 g/mol
Exact Mass363.02
IUPAC Name5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)N[C@@H](c1ccsc1)c1cccs1
InChIInChI=1S/C17H14ClNO2S2/c1-21-14-5-4-12(18)9-13(14)17(20)19-16(11-6-8-22-10-11)15-3-2-7-23-15/h2-10,16H,1H3,(H,19,20)/t16-/m0/s1
InChIKeyJTVIQKXBLFISOF-INIZCTEOSA-N
XLogP4.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354524
3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 119104238
2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 121021409
4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 121021382
2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354884
2-(4-chlorophenoxy)-2-methyl-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide
CID 119104228
2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide
CID 129354820
(E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide
CID 119104226
5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 2532293
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 5-chloro-2-methoxybenzoate
CID 7291398
5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 887260

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide (CID 129354714) is 5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide is COc1ccc(Cl)cc1C(=O)N[C@@H](c1ccsc1)c1cccs1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide?
The InChIKey is JTVIQKXBLFISOF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14ClNO2S2/c1-21-14-5-4-12(18)9-13(14)17(20)19-16(11-6-8-22-10-11)15-3-2-7-23-15/h2-10,16H,1H3,(H,19,20)/t16-/m0/s1.
What are the key properties of 5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide?
5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide has a molecular weight of 363.89 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide is sourced from PubChem (CID 129354714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).