1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea

C18H15ClN2OS — CID 71809975

IUPAC1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1Cl
InChIInChI=1S/C18H15ClN2OS/c19-16-7-3-4-8-17(16)21-18(22)20-11-13-5-1-2-6-15(13)14-9-10-23-12-14/h1-10,12H,11H2,(H2,20,21,22)
InChIKeyRDVBTDPHTYQRAY-UHFFFAOYSA-N
MW342.85 g/mol
LogP5.39
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea

1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea (PubChem CID 71809975) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea
PubChem CID71809975
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC Name1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1Cl
InChIInChI=1S/C18H15ClN2OS/c19-16-7-3-4-8-17(16)21-18(22)20-11-13-5-1-2-6-15(13)14-9-10-23-12-14/h1-10,12H,11H2,(H2,20,21,22)
InChIKeyRDVBTDPHTYQRAY-UHFFFAOYSA-N
XLogP5.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.85
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide
CID 90596997
2-(4-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596848
1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea
CID 5122456
2-thiophen-2-yl-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809924
3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide
CID 90596831
2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596839
1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 51046194
N-[(2-thiophen-3-ylphenyl)methyl]undecanamide
CID 90596958
1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
CID 99981751
4-(4-fluorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596881
5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide
CID 90597008
1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 51896387

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea (CID 71809975) is 1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea is O=C(NCc1ccccc1-c1ccsc1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea?
The InChIKey is RDVBTDPHTYQRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c19-16-7-3-4-8-17(16)21-18(22)20-11-13-5-1-2-6-15(13)14-9-10-23-12-14/h1-10,12H,11H2,(H2,20,21,22).
What are the key properties of 1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea?
1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea has a molecular weight of 342.85 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea is sourced from PubChem (CID 71809975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).