N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide

C18H21NO2S — CID 90496022

IUPACN-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1cccc(OCC(=O)N(CCc2cccs2)C2CC2)c1
InChIInChI=1S/C18H21NO2S/c1-14-4-2-5-16(12-14)21-13-18(20)19(15-7-8-15)10-9-17-6-3-11-22-17/h2-6,11-12,15H,7-10,13H2,1H3
InChIKeyFEPVUUYWOBQIFO-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.67
Rot. Bonds7

About N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide

N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 90496022) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID90496022
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1cccc(OCC(=O)N(CCc2cccs2)C2CC2)c1
InChIInChI=1S/C18H21NO2S/c1-14-4-2-5-16(12-14)21-13-18(20)19(15-7-8-15)10-9-17-6-3-11-22-17/h2-6,11-12,15H,7-10,13H2,1H3
InChIKeyFEPVUUYWOBQIFO-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 90495647
2-(3-methylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55438272
N-(C-ethenyl-N-methylcarbonimidoyl)-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 145284544
2-(3-methoxyphenoxy)-N-pyrazolidin-4-yl-N-(thiophen-2-ylmethyl)acetamide
CID 118492311
N-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110716156
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 892170
N-(1,1-dioxothiolan-3-yl)-2-(3-iodophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 43030993
N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(3-methylphenoxy)acetamide
CID 90569909
N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496096
N-cyclopropyl-2-(3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 110723139
(3-methylphenyl) 2-thiophen-2-ylacetate
CID 532771

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide (CID 90496022) is N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide is Cc1cccc(OCC(=O)N(CCc2cccs2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is FEPVUUYWOBQIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-4-2-5-16(12-14)21-13-18(20)19(15-7-8-15)10-9-17-6-3-11-22-17/h2-6,11-12,15H,7-10,13H2,1H3.
What are the key properties of N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 315.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 90496022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).