1-(4-chlorophenyl)-3-[5-[3-(dimethylamino)phenyl]thiophen-2-yl]urea

C19H18ClN3OS — CID 155436493

IUPAC1-(4-chlorophenyl)-3-[5-[3-(dimethylamino)phenyl]thiophen-2-yl]urea
SMILESCN(C)c1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1
InChIInChI=1S/C19H18ClN3OS/c1-23(2)16-5-3-4-13(12-16)17-10-11-18(25-17)22-19(24)21-15-8-6-14(20)7-9-15/h3-12H,1-2H3,(H2,21,22,24)
InChIKeyAJHJQNKTWHOYQV-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.78
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[5-[3-(dimethylamino)phenyl]thiophen-2-yl]urea

1-(4-chlorophenyl)-3-[5-[3-(dimethylamino)phenyl]thiophen-2-yl]urea (PubChem CID 155436493) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[5-[3-(dimethylamino)phenyl]thiophen-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[5-[3-(dimethylamino)phenyl]thiophen-2-yl]urea
PubChem CID155436493
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name1-(4-chlorophenyl)-3-[5-[3-(dimethylamino)phenyl]thiophen-2-yl]urea
SMILESCN(C)c1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1
InChIInChI=1S/C19H18ClN3OS/c1-23(2)16-5-3-4-13(12-16)17-10-11-18(25-17)22-19(24)21-15-8-6-14(20)7-9-15/h3-12H,1-2H3,(H2,21,22,24)
InChIKeyAJHJQNKTWHOYQV-UHFFFAOYSA-N
XLogP5.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[5-[3-(dimethylamino)phenyl]thiophen-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[5-[3-(dimethylamino)phenyl]thiophen-2-yl]urea (CID 155436493) is 1-(4-chlorophenyl)-3-[5-[3-(dimethylamino)phenyl]thiophen-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[5-[3-(dimethylamino)phenyl]thiophen-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[5-[3-(dimethylamino)phenyl]thiophen-2-yl]urea is CN(C)c1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[5-[3-(dimethylamino)phenyl]thiophen-2-yl]urea?
The InChIKey is AJHJQNKTWHOYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-23(2)16-5-3-4-13(12-16)17-10-11-18(25-17)22-19(24)21-15-8-6-14(20)7-9-15/h3-12H,1-2H3,(H2,21,22,24).
What are the key properties of 1-(4-chlorophenyl)-3-[5-[3-(dimethylamino)phenyl]thiophen-2-yl]urea?
1-(4-chlorophenyl)-3-[5-[3-(dimethylamino)phenyl]thiophen-2-yl]urea has a molecular weight of 371.89 g/mol, XLogP of 5.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[5-[3-(dimethylamino)phenyl]thiophen-2-yl]urea is sourced from PubChem (CID 155436493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).