3-(4-chlorophenyl)-1-(2-phenylethyl)-1-(thiophen-3-ylmethyl)urea

C20H19ClN2OS — CID 42704217

IUPAC3-(4-chlorophenyl)-1-(2-phenylethyl)-1-(thiophen-3-ylmethyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(CCc1ccccc1)Cc1ccsc1
InChIInChI=1S/C20H19ClN2OS/c21-18-6-8-19(9-7-18)22-20(24)23(14-17-11-13-25-15-17)12-10-16-4-2-1-3-5-16/h1-9,11,13,15H,10,12,14H2,(H,22,24)
InChIKeyRVPYZSRPDNQTJH-UHFFFAOYSA-N
MW370.91 g/mol
LogP5.68
Rot. Bonds6

About 3-(4-chlorophenyl)-1-(2-phenylethyl)-1-(thiophen-3-ylmethyl)urea

3-(4-chlorophenyl)-1-(2-phenylethyl)-1-(thiophen-3-ylmethyl)urea (PubChem CID 42704217) has the molecular formula C20H19ClN2OS and a molecular weight of 370.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(2-phenylethyl)-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2-phenylethyl)-1-(thiophen-3-ylmethyl)urea
PubChem CID42704217
Molecular FormulaC20H19ClN2OS
Molecular Weight370.91 g/mol
Exact Mass370.09
IUPAC Name3-(4-chlorophenyl)-1-(2-phenylethyl)-1-(thiophen-3-ylmethyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(CCc1ccccc1)Cc1ccsc1
InChIInChI=1S/C20H19ClN2OS/c21-18-6-8-19(9-7-18)22-20(24)23(14-17-11-13-25-15-17)12-10-16-4-2-1-3-5-16/h1-9,11,13,15H,10,12,14H2,(H,22,24)
InChIKeyRVPYZSRPDNQTJH-UHFFFAOYSA-N
XLogP5.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.91
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120836
N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide
CID 120885888
(2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 9054773
1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 3249090
1-(2-aminoethyl)-1-benzyl-3-(4-fluorophenyl)urea
CID 61014415
1-benzyl-3-phenyl-1-propylurea
CID 78786424
3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084605
3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea
CID 1058618
1-(1,3-benzodioxol-5-ylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-3-phenylurea
CID 42724352
N-(2-hydroxyethyl)-N-(2-phenylethyl)thiophene-3-carboxamide
CID 111122178
N-(4-chlorophenyl)-3-[methyl(3-phenylpropyl)amino]propanamide
CID 55850747
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(2-phenylethyl)-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-(2-phenylethyl)-1-(thiophen-3-ylmethyl)urea (CID 42704217) is 3-(4-chlorophenyl)-1-(2-phenylethyl)-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2-phenylethyl)-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2-phenylethyl)-1-(thiophen-3-ylmethyl)urea is O=C(Nc1ccc(Cl)cc1)N(CCc1ccccc1)Cc1ccsc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2-phenylethyl)-1-(thiophen-3-ylmethyl)urea?
The InChIKey is RVPYZSRPDNQTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2OS/c21-18-6-8-19(9-7-18)22-20(24)23(14-17-11-13-25-15-17)12-10-16-4-2-1-3-5-16/h1-9,11,13,15H,10,12,14H2,(H,22,24).
What are the key properties of 3-(4-chlorophenyl)-1-(2-phenylethyl)-1-(thiophen-3-ylmethyl)urea?
3-(4-chlorophenyl)-1-(2-phenylethyl)-1-(thiophen-3-ylmethyl)urea has a molecular weight of 370.91 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(2-phenylethyl)-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 42704217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).