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

C19H17NO2S — CID 8820699

IUPAC3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)N[C@@H](c2ccccc2)c2cccs2)c1
InChIInChI=1S/C19H17NO2S/c1-22-16-10-5-9-15(13-16)19(21)20-18(17-11-6-12-23-17)14-7-3-2-4-8-14/h2-13,18H,1H3,(H,20,21)/t18-/m0/s1
InChIKeyBCTZZPLTYSVTBI-SFHVURJKSA-N
MW323.42 g/mol
LogP4.28
Rot. Bonds5

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

3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide (PubChem CID 8820699) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
PubChem CID8820699
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)N[C@@H](c2ccccc2)c2cccs2)c1
InChIInChI=1S/C19H17NO2S/c1-22-16-10-5-9-15(13-16)19(21)20-18(17-11-6-12-23-17)14-7-3-2-4-8-14/h2-13,18H,1H3,(H,20,21)/t18-/m0/s1
InChIKeyBCTZZPLTYSVTBI-SFHVURJKSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918037
3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide
CID 17488923
N-[(4-bromophenyl)-phenylmethyl]-3-methoxybenzamide
CID 2952126
N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24682427
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 92519851
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
3-nitro-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46449776
3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8854012
(3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8789153
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820643

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide?
The IUPAC name of 3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide (CID 8820699) is 3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide is COc1cccc(C(=O)N[C@@H](c2ccccc2)c2cccs2)c1.
What is the InChIKey of 3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide?
The InChIKey is BCTZZPLTYSVTBI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-22-16-10-5-9-15(13-16)19(21)20-18(17-11-6-12-23-17)14-7-3-2-4-8-14/h2-13,18H,1H3,(H,20,21)/t18-/m0/s1.
What are the key properties of 3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide?
3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide has a molecular weight of 323.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 8820699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).