N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide

C16H19NO2S — CID 100620479

IUPACN-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide
SMILESCC[C@H](NC(=O)c1cccs1)c1ccc(OC)c(C)c1
InChIInChI=1S/C16H19NO2S/c1-4-13(17-16(18)15-6-5-9-20-15)12-7-8-14(19-3)11(2)10-12/h5-10,13H,4H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyHCPUVNZDVFBYPV-ZDUSSCGKSA-N
MW289.40 g/mol
LogP3.95
Rot. Bonds5

About N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide

N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide (PubChem CID 100620479) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide
PubChem CID100620479
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide
SMILESCC[C@H](NC(=O)c1cccs1)c1ccc(OC)c(C)c1
InChIInChI=1S/C16H19NO2S/c1-4-13(17-16(18)15-6-5-9-20-15)12-7-8-14(19-3)11(2)10-12/h5-10,13H,4H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyHCPUVNZDVFBYPV-ZDUSSCGKSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100684625
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100766332
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498
5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133164754
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide
CID 100711328
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide
CID 133160886
4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100760961
2-(4-ethylphenyl)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100585229
2-(4-ethylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202725
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 133160157
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-(methylsulfamoyl)benzamide
CID 100624134

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide (CID 100620479) is N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide is CC[C@H](NC(=O)c1cccs1)c1ccc(OC)c(C)c1.
What is the InChIKey of N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide?
The InChIKey is HCPUVNZDVFBYPV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-4-13(17-16(18)15-6-5-9-20-15)12-7-8-14(19-3)11(2)10-12/h5-10,13H,4H2,1-3H3,(H,17,18)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide?
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 100620479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).