1-(3,4-dichlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea

C14H14Cl2N2OS — CID 3994333

IUPAC1-(3,4-dichlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(Cc1cccs1)NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2OS/c1-9(7-11-3-2-6-20-11)17-14(19)18-10-4-5-12(15)13(16)8-10/h2-6,8-9H,7H2,1H3,(H2,17,18,19)
InChIKeySUTXKQMQDNIBSV-UHFFFAOYSA-N
MW329.25 g/mol
LogP4.81
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea

1-(3,4-dichlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea (PubChem CID 3994333) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
PubChem CID3994333
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC Name1-(3,4-dichlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(Cc1cccs1)NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2OS/c1-9(7-11-3-2-6-20-11)17-14(19)18-10-4-5-12(15)13(16)8-10/h2-6,8-9H,7H2,1H3,(H2,17,18,19)
InChIKeySUTXKQMQDNIBSV-UHFFFAOYSA-N
XLogP4.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dichlorophenyl)-N'-(2-thienylmethyl)thiourea
CID 2730105
1-(3,4-Dichlorophenyl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 3157064
1-(3-Chlorophenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2059105
1-(5-tert-Butyl-thiophen-3-yl)-3-(2,3-dichloro-phenyl)-urea
CID 44305055
1-(2,3-Dichlorophenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 970626
1-(4-Chlorophenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2257886
1-Phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 2998480
1-(4-Chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 3600113
1-(3-Chlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
CID 3639895
1-(3,4-Dichlorophenyl)-3-(3-methylbutyl)-3-[1-(thiophen-2-YL)ethyl]urea
CID 4571219
N-(2,5-dichlorophenyl)-N'-(2-thienylmethyl)urea
CID 6469164
1-(4-Chloro-phenyl)-3-(2,5-dichloro-thiophen-3-yl)-urea
CID 597575

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea (CID 3994333) is 1-(3,4-dichlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea is CC(Cc1cccs1)NC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
The InChIKey is SUTXKQMQDNIBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c1-9(7-11-3-2-6-20-11)17-14(19)18-10-4-5-12(15)13(16)8-10/h2-6,8-9H,7H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
1-(3,4-dichlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea has a molecular weight of 329.25 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea is sourced from PubChem (CID 3994333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).