N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide

C18H23NO2S — CID 134054458

IUPACN-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CCCc1cccs1
InChIInChI=1S/C18H23NO2S/c1-14(16-10-4-5-11-17(16)21-3)19(2)18(20)12-6-8-15-9-7-13-22-15/h4-5,7,9-11,13-14H,6,8,12H2,1-3H3
InChIKeySCPGHFRTYVLMNY-UHFFFAOYSA-N
MW317.45 g/mol
LogP4.30
Rot. Bonds7

About N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide (PubChem CID 134054458) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide
PubChem CID134054458
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CCCc1cccs1
InChIInChI=1S/C18H23NO2S/c1-14(16-10-4-5-11-17(16)21-3)19(2)18(20)12-6-8-15-9-7-13-22-15/h4-5,7,9-11,13-14H,6,8,12H2,1-3H3
InChIKeySCPGHFRTYVLMNY-UHFFFAOYSA-N
XLogP4.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide
CID 78854172
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54871032
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134054629
N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 134054612
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 54913397
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 9477807
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 51212418
4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 46588371
(2S)-3-methyl-2-[methyl-(5-sulfanylidene-8-thiophen-2-yloctanoyl)amino]butanoic acid
CID 158339018
3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 134054649
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 134054577
3-(1,3-benzothiazol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 134054516

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide (CID 134054458) is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide is COc1ccccc1C(C)N(C)C(=O)CCCc1cccs1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide?
The InChIKey is SCPGHFRTYVLMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-14(16-10-4-5-11-17(16)21-3)19(2)18(20)12-6-8-15-9-7-13-22-15/h4-5,7,9-11,13-14H,6,8,12H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide?
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide has a molecular weight of 317.45 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 134054458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).