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

C22H29N3O2S — CID 71883834

IUPAC1-cyclopropyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-3-ylmethyl)urea
SMILESCOc1cccc(C(CNC(=O)N(Cc2ccsc2)C2CC2)N2CCCC2)c1
InChIInChI=1S/C22H29N3O2S/c1-27-20-6-4-5-18(13-20)21(24-10-2-3-11-24)14-23-22(26)25(19-7-8-19)15-17-9-12-28-16-17/h4-6,9,12-13,16,19,21H,2-3,7-8,10-11,14-15H2,1H3,(H,23,26)
InChIKeyQKLJTNMQWBZBSC-UHFFFAOYSA-N
MW399.56 g/mol
LogP4.27
Rot. Bonds8

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

1-cyclopropyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-3-ylmethyl)urea (PubChem CID 71883834) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-3-ylmethyl)urea
PubChem CID71883834
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name1-cyclopropyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-3-ylmethyl)urea
SMILESCOc1cccc(C(CNC(=O)N(Cc2ccsc2)C2CC2)N2CCCC2)c1
InChIInChI=1S/C22H29N3O2S/c1-27-20-6-4-5-18(13-20)21(24-10-2-3-11-24)14-23-22(26)25(19-7-8-19)15-17-9-12-28-16-17/h4-6,9,12-13,16,19,21H,2-3,7-8,10-11,14-15H2,1H3,(H,23,26)
InChIKeyQKLJTNMQWBZBSC-UHFFFAOYSA-N
XLogP4.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea
CID 125437502
3-cyclopropyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 166195680
1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111346800
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
1-ethyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111346546
N'-(3-methoxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)oxamide
CID 16932385
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]azocane-1-carboxamide
CID 112806953
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,2-dimethylpropanamide
CID 134026624
5-(methoxymethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 78840080
N'-(3-methoxyphenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide
CID 16932195
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 46446899
3-cyclohexyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 43005794

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-3-ylmethyl)urea (CID 71883834) is 1-cyclopropyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-3-ylmethyl)urea is COc1cccc(C(CNC(=O)N(Cc2ccsc2)C2CC2)N2CCCC2)c1.
What is the InChIKey of 1-cyclopropyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-3-ylmethyl)urea?
The InChIKey is QKLJTNMQWBZBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-27-20-6-4-5-18(13-20)21(24-10-2-3-11-24)14-23-22(26)25(19-7-8-19)15-17-9-12-28-16-17/h4-6,9,12-13,16,19,21H,2-3,7-8,10-11,14-15H2,1H3,(H,23,26).
What are the key properties of 1-cyclopropyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-3-ylmethyl)urea?
1-cyclopropyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-3-ylmethyl)urea has a molecular weight of 399.56 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 71883834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).