3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea

C19H23Cl2N3O2S — CID 5093320

IUPAC3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N(CCCN1CCOCC1)Cc1cccs1
InChIInChI=1S/C19H23Cl2N3O2S/c20-17-5-4-15(13-18(17)21)22-19(25)24(14-16-3-1-12-27-16)7-2-6-23-8-10-26-11-9-23/h1,3-5,12-13H,2,6-11,14H2,(H,22,25)
InChIKeyDDKSAIUWPFTCBG-UHFFFAOYSA-N
MW428.39 g/mol
LogP4.81
Rot. Bonds7

About 3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea

3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 5093320) has the molecular formula C19H23Cl2N3O2S and a molecular weight of 428.39 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea
PubChem CID5093320
Molecular FormulaC19H23Cl2N3O2S
Molecular Weight428.39 g/mol
Exact Mass427.09
IUPAC Name3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N(CCCN1CCOCC1)Cc1cccs1
InChIInChI=1S/C19H23Cl2N3O2S/c20-17-5-4-15(13-18(17)21)22-19(25)24(14-16-3-1-12-27-16)7-2-6-23-8-10-26-11-9-23/h1,3-5,12-13H,2,6-11,14H2,(H,22,25)
InChIKeyDDKSAIUWPFTCBG-UHFFFAOYSA-N
XLogP4.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea
CID 4257356
1-(3,4-Dichlorophenyl)-3-(3-methylbutyl)-3-[1-(thiophen-2-YL)ethyl]urea
CID 4571219
1-(3-Morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 4247300
1-(3,4-Dichlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 3994333
N'-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(thien-2-ylmethyl)thiourea
CID 5073032
1-(4-Chlorophenyl)-3-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)urea
CID 9551601
3-(4-Chlorophenyl)-1-phenyl-3-[(thiophen-2-YL)methyl]urea
CID 16015954
N-(3,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 24231338
1-Heptyl-1-(thiophen-2-ylmethyl)-3-(2,4,5-trichlorophenyl)urea
CID 44314626
(2S)-1-(3,4-dichlorophenyl)-4-(2-hydroxyacetyl)-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide
CID 168290332
1-(2-Chlorophenyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
CID 4963404
1-(3-Chlorophenyl)-3-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)urea
CID 16806640

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea (CID 5093320) is 3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)N(CCCN1CCOCC1)Cc1cccs1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is DDKSAIUWPFTCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O2S/c20-17-5-4-15(13-18(17)21)22-19(25)24(14-16-3-1-12-27-16)7-2-6-23-8-10-26-11-9-23/h1,3-5,12-13H,2,6-11,14H2,(H,22,25).
What are the key properties of 3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea?
3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 428.39 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 5093320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).