1-(2-ethoxyphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea

C19H25N3O2S — CID 55696370

IUPAC1-(2-ethoxyphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
SMILESCCOc1ccccc1NC(=O)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C19H25N3O2S/c1-2-24-17-9-4-3-8-15(17)21-19(23)20-14-16(18-10-7-13-25-18)22-11-5-6-12-22/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3,(H2,20,21,23)
InChIKeyHCYWAHTVDJIMSK-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.11
Rot. Bonds7

About 1-(2-ethoxyphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea

1-(2-ethoxyphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea (PubChem CID 55696370) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
PubChem CID55696370
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name1-(2-ethoxyphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
SMILESCCOc1ccccc1NC(=O)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C19H25N3O2S/c1-2-24-17-9-4-3-8-15(17)21-19(23)20-14-16(18-10-7-13-25-18)22-11-5-6-12-22/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3,(H2,20,21,23)
InChIKeyHCYWAHTVDJIMSK-UHFFFAOYSA-N
XLogP4.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(2-ethoxyphenyl)urea
CID 122265012
1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 17497858
1-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)urea
CID 30294175
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 17012429
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide
CID 35042114
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide;hydrochloride
CID 52984636
2-(2-methoxyphenoxy)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17014094
2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 35181744
1-(2-ethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]urea
CID 51696890
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 35133379
2-methoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950107
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 111454012

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea (CID 55696370) is 1-(2-ethoxyphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea is CCOc1ccccc1NC(=O)NCC(c1cccs1)N1CCCC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea?
The InChIKey is HCYWAHTVDJIMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-2-24-17-9-4-3-8-15(17)21-19(23)20-14-16(18-10-7-13-25-18)22-11-5-6-12-22/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3,(H2,20,21,23).
What are the key properties of 1-(2-ethoxyphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea?
1-(2-ethoxyphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea has a molecular weight of 359.50 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 55696370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).