3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea

C21H29N3O2S — CID 86916292

IUPAC3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
SMILESCOc1ccccc1C(CNC(=O)N(C)C(C)c1cccs1)N1CCCC1
InChIInChI=1S/C21H29N3O2S/c1-16(20-11-8-14-27-20)23(2)21(25)22-15-18(24-12-6-7-13-24)17-9-4-5-10-19(17)26-3/h4-5,8-11,14,16,18H,6-7,12-13,15H2,1-3H3,(H,22,25)
InChIKeyRRFKUGKOLPDZGZ-UHFFFAOYSA-N
MW387.55 g/mol
LogP4.30
Rot. Bonds7

About 3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea

3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea (PubChem CID 86916292) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
PubChem CID86916292
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
SMILESCOc1ccccc1C(CNC(=O)N(C)C(C)c1cccs1)N1CCCC1
InChIInChI=1S/C21H29N3O2S/c1-16(20-11-8-14-27-20)23(2)21(25)22-15-18(24-12-6-7-13-24)17-9-4-5-10-19(17)26-3/h4-5,8-11,14,16,18H,6-7,12-13,15H2,1-3H3,(H,22,25)
InChIKeyRRFKUGKOLPDZGZ-UHFFFAOYSA-N
XLogP4.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-2-ylmethyl)urea
CID 86999745
2-methoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950107
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 35133379
1-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-N',1-N'-dimethylcyclopropane-1,1-dicarboxamide
CID 100728103
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180
2-(2-methoxyphenoxy)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17014094
1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 17497858
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
CID 47006058
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylthiophene-2-carboxamide
CID 51164557
1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-(3,3,3-trifluoropropyl)urea
CID 51129466

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea?
The IUPAC name of 3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea (CID 86916292) is 3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea?
The canonical SMILES for 3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea is COc1ccccc1C(CNC(=O)N(C)C(C)c1cccs1)N1CCCC1.
What is the InChIKey of 3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea?
The InChIKey is RRFKUGKOLPDZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-16(20-11-8-14-27-20)23(2)21(25)22-15-18(24-12-6-7-13-24)17-9-4-5-10-19(17)26-3/h4-5,8-11,14,16,18H,6-7,12-13,15H2,1-3H3,(H,22,25).
What are the key properties of 3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea?
3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea has a molecular weight of 387.55 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea is sourced from PubChem (CID 86916292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).