3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide

C16H19NOS — CID 9051719

IUPAC3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
SMILESCc1cccc(C(=O)N[C@H](c2cccs2)C(C)C)c1
InChIInChI=1S/C16H19NOS/c1-11(2)15(14-8-5-9-19-14)17-16(18)13-7-4-6-12(3)10-13/h4-11,15H,1-3H3,(H,17,18)/t15-/m0/s1
InChIKeyFZIPTXHJFDJUMT-HNNXBMFYSA-N
MW273.40 g/mol
LogP4.18
Rot. Bonds4

About 3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide

3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide (PubChem CID 9051719) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
PubChem CID9051719
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
SMILESCc1cccc(C(=O)N[C@H](c2cccs2)C(C)C)c1
InChIInChI=1S/C16H19NOS/c1-11(2)15(14-8-5-9-19-14)17-16(18)13-7-4-6-12(3)10-13/h4-11,15H,1-3H3,(H,17,18)/t15-/m0/s1
InChIKeyFZIPTXHJFDJUMT-HNNXBMFYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060
3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 104852226
2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 79018523
N-(2-methyl-1-thiophen-2-ylpropyl)-3-nitrobenzamide
CID 46691946
3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051674
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
2-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-3H-benzimidazole-5-carboxamide
CID 51495335
4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051637
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 46828410
N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 82121701
3-(cyclopropylsulfamoyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46691945

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide?
The IUPAC name of 3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide (CID 9051719) is 3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide.
What is the SMILES notation for 3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide?
The canonical SMILES for 3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide is Cc1cccc(C(=O)N[C@H](c2cccs2)C(C)C)c1.
What is the InChIKey of 3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide?
The InChIKey is FZIPTXHJFDJUMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-11(2)15(14-8-5-9-19-14)17-16(18)13-7-4-6-12(3)10-13/h4-11,15H,1-3H3,(H,17,18)/t15-/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide?
3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide has a molecular weight of 273.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide is sourced from PubChem (CID 9051719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).