2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide

C18H23NOS — CID 54782012

IUPAC2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCc2cccs2)cc1
InChIInChI=1S/C18H23NOS/c1-13(2)11-15-6-8-16(9-7-15)14(3)18(20)19-12-17-5-4-10-21-17/h4-10,13-14H,11-12H2,1-3H3,(H,19,20)
InChIKeyCXFSHYDIZSIZKV-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.37
Rot. Bonds6

About 2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide

2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 54782012) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID54782012
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCc2cccs2)cc1
InChIInChI=1S/C18H23NOS/c1-13(2)11-15-6-8-16(9-7-15)14(3)18(20)19-12-17-5-4-10-21-17/h4-10,13-14H,11-12H2,1-3H3,(H,19,20)
InChIKeyCXFSHYDIZSIZKV-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 162646835
2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950
2-methyl-3-oxo-3-(thiophen-2-ylmethylamino)propanoic acid
CID 114897313
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
CID 1228331
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 115187274
N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 118460057
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
(2R)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 95236096
(2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 170910029
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide (CID 54782012) is 2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide is CC(C)Cc1ccc(C(C)C(=O)NCc2cccs2)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is CXFSHYDIZSIZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-13(2)11-15-6-8-16(9-7-15)14(3)18(20)19-12-17-5-4-10-21-17/h4-10,13-14H,11-12H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide?
2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 301.45 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 54782012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).