2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide

C18H21FN2OS — CID 34408485

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CN(Cc1cccs1)C1CC1)NCCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2OS/c19-15-5-3-14(4-6-15)9-10-20-18(22)13-21(16-7-8-16)12-17-2-1-11-23-17/h1-6,11,16H,7-10,12-13H2,(H,20,22)
InChIKeyHMEXTVYIPIJMKO-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.21
Rot. Bonds8

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 34408485) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID34408485
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CN(Cc1cccs1)C1CC1)NCCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2OS/c19-15-5-3-14(4-6-15)9-10-20-18(22)13-21(16-7-8-16)12-17-2-1-11-23-17/h1-6,11,16H,7-10,12-13H2,(H,20,22)
InChIKeyHMEXTVYIPIJMKO-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(thiophen-3-yl)phenyl]ethyl]amino}pentanamide
CID 10150891
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163
N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 8013080
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piperidin-1-yl)ethylamino)-2-(thiophen-3-yl)acetamide
CID 10323427
2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213
N-Cyclohexyl-2-[cyclopropyl-(2-thiophen-2-yl-acetyl)-amino]-2-(3-methyl-thiophen-2-yl)-acetamide
CID 652619
N-(2-fluorobenzyl)-2-(2-thienyl)acetamide
CID 1246492
(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 2569251
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 2608928

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 34408485) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(CN(Cc1cccs1)C1CC1)NCCc1ccc(F)cc1.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is HMEXTVYIPIJMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c19-15-5-3-14(4-6-15)9-10-20-18(22)13-21(16-7-8-16)12-17-2-1-11-23-17/h1-6,11,16H,7-10,12-13H2,(H,20,22).
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 332.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 34408485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).