1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea

C15H18ClN3OS — CID 18588947

IUPAC1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
SMILESCN(C)C(CNC(=O)Nc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C15H18ClN3OS/c1-19(2)13(14-4-3-9-21-14)10-17-15(20)18-12-7-5-11(16)6-8-12/h3-9,13H,10H2,1-2H3,(H2,17,18,20)
InChIKeyOJQOZRRRPMTZOK-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.83
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea

1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea (PubChem CID 18588947) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
PubChem CID18588947
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
SMILESCN(C)C(CNC(=O)Nc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C15H18ClN3OS/c1-19(2)13(14-4-3-9-21-14)10-17-15(20)18-12-7-5-11(16)6-8-12/h3-9,13H,10H2,1-2H3,(H2,17,18,20)
InChIKeyOJQOZRRRPMTZOK-UHFFFAOYSA-N
XLogP3.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 30834281
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095
2-chloro-N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide
CID 51118835
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
2-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18169478
N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 18124847
4-benzamido-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 42942787
4-benzamido-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 25466127
5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 95122907
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide
CID 30835013
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194289
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134291

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea (CID 18588947) is 1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea is CN(C)C(CNC(=O)Nc1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
The InChIKey is OJQOZRRRPMTZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-19(2)13(14-4-3-9-21-14)10-17-15(20)18-12-7-5-11(16)6-8-12/h3-9,13H,10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea has a molecular weight of 323.85 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea is sourced from PubChem (CID 18588947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).