1-[2-(3-chlorophenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea

C21H19ClN2OS — CID 108901388

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea
SMILESO=C(NCCc1cccc(Cl)c1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C21H19ClN2OS/c22-17-8-6-7-16(15-17)13-14-23-21(25)24-19-11-4-5-12-20(19)26-18-9-2-1-3-10-18/h1-12,15H,13-14H2,(H2,23,24,25)
InChIKeyZHJOHWCHHXIMSP-UHFFFAOYSA-N
MW382.92 g/mol
LogP5.86
Rot. Bonds6

About 1-[2-(3-chlorophenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea

1-[2-(3-chlorophenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea (PubChem CID 108901388) has the molecular formula C21H19ClN2OS and a molecular weight of 382.92 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea
PubChem CID108901388
Molecular FormulaC21H19ClN2OS
Molecular Weight382.92 g/mol
Exact Mass382.09
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea
SMILESO=C(NCCc1cccc(Cl)c1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C21H19ClN2OS/c22-17-8-6-7-16(15-17)13-14-23-21(25)24-19-11-4-5-12-20(19)26-18-9-2-1-3-10-18/h1-12,15H,13-14H2,(H2,23,24,25)
InChIKeyZHJOHWCHHXIMSP-UHFFFAOYSA-N
XLogP5.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.92
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
CID 17283504
1-[(3-bromophenyl)methyl]-3-(2-phenylsulfanylphenyl)urea
CID 108898844
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
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1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea
CID 47240493
1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
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1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea
CID 108991013
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide
CID 108952537
1-(2-chloro-5-nitrophenyl)-3-[2-(3-chlorophenyl)ethyl]urea
CID 108901382
1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea
CID 108888842
(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 51941387
N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide
CID 108986517

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea (CID 108901388) is 1-[2-(3-chlorophenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea is O=C(NCCc1cccc(Cl)c1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea?
The InChIKey is ZHJOHWCHHXIMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2OS/c22-17-8-6-7-16(15-17)13-14-23-21(25)24-19-11-4-5-12-20(19)26-18-9-2-1-3-10-18/h1-12,15H,13-14H2,(H2,23,24,25).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea?
1-[2-(3-chlorophenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea has a molecular weight of 382.92 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea is sourced from PubChem (CID 108901388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).