N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide

C18H23NO2S — CID 51212418

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)CCCc1cccs1
InChIInChI=1S/C18H23NO2S/c1-13-9-10-17(21-3)16(12-13)14(2)19-18(20)8-4-6-15-7-5-11-22-15/h5,7,9-12,14H,4,6,8H2,1-3H3,(H,19,20)
InChIKeySLURADDPSIMRGU-UHFFFAOYSA-N
MW317.45 g/mol
LogP4.27
Rot. Bonds7

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide

N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide (PubChem CID 51212418) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide
PubChem CID51212418
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)CCCc1cccs1
InChIInChI=1S/C18H23NO2S/c1-13-9-10-17(21-3)16(12-13)14(2)19-18(20)8-4-6-15-7-5-11-22-15/h5,7,9-12,14H,4,6,8H2,1-3H3,(H,19,20)
InChIKeySLURADDPSIMRGU-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 9477807
N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 43297812
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 60940420
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854887
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9262362
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
CID 48964547
3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 9264272
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 112764256
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
4-[3-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]benzoic acid
CID 119179775
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide (CID 51212418) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide is COc1ccc(C)cc1C(C)NC(=O)CCCc1cccs1.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide?
The InChIKey is SLURADDPSIMRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-13-9-10-17(21-3)16(12-13)14(2)19-18(20)8-4-6-15-7-5-11-22-15/h5,7,9-12,14H,4,6,8H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide has a molecular weight of 317.45 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 51212418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).