1-(3-chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea

C18H22ClN3OS — CID 3639895

IUPAC1-(3-chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(NC(=O)Nc1cccc(Cl)c1)C(c1cccs1)N1CCCC1
InChIInChI=1S/C18H22ClN3OS/c1-13(20-18(23)21-15-7-4-6-14(19)12-15)17(16-8-5-11-24-16)22-9-2-3-10-22/h4-8,11-13,17H,2-3,9-10H2,1H3,(H2,20,21,23)
InChIKeyWGTOLGDFKAMFSC-UHFFFAOYSA-N
MW363.91 g/mol
LogP4.75
Rot. Bonds5

About 1-(3-chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea

1-(3-chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea (PubChem CID 3639895) has the molecular formula C18H22ClN3OS and a molecular weight of 363.91 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
PubChem CID3639895
Molecular FormulaC18H22ClN3OS
Molecular Weight363.91 g/mol
Exact Mass363.12
IUPAC Name1-(3-chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(NC(=O)Nc1cccc(Cl)c1)C(c1cccs1)N1CCCC1
InChIInChI=1S/C18H22ClN3OS/c1-13(20-18(23)21-15-7-4-6-14(19)12-15)17(16-8-5-11-24-16)22-9-2-3-10-22/h4-8,11-13,17H,2-3,9-10H2,1H3,(H2,20,21,23)
InChIKeyWGTOLGDFKAMFSC-UHFFFAOYSA-N
XLogP4.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea (CID 3639895) is 1-(3-chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea is CC(NC(=O)Nc1cccc(Cl)c1)C(c1cccs1)N1CCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea?
The InChIKey is WGTOLGDFKAMFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OS/c1-13(20-18(23)21-15-7-4-6-14(19)12-15)17(16-8-5-11-24-16)22-9-2-3-10-22/h4-8,11-13,17H,2-3,9-10H2,1H3,(H2,20,21,23).
What are the key properties of 1-(3-chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea?
1-(3-chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea has a molecular weight of 363.91 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea is sourced from PubChem (CID 3639895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).