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

C19H24ClN3O2S — CID 4257356

IUPAC3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccs1
InChIInChI=1S/C19H24ClN3O2S/c20-16-4-6-17(7-5-16)21-19(24)23(15-18-3-1-14-26-18)9-2-8-22-10-12-25-13-11-22/h1,3-7,14H,2,8-13,15H2,(H,21,24)
InChIKeyCWEAIPPFMSOZDZ-UHFFFAOYSA-N
MW393.94 g/mol
LogP4.16
Rot. Bonds7

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

3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 4257356) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea
PubChem CID4257356
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccs1
InChIInChI=1S/C19H24ClN3O2S/c20-16-4-6-17(7-5-16)21-19(24)23(15-18-3-1-14-26-18)9-2-8-22-10-12-25-13-11-22/h1,3-7,14H,2,8-13,15H2,(H,21,24)
InChIKeyCWEAIPPFMSOZDZ-UHFFFAOYSA-N
XLogP4.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 3600113
1-(1-Morpholino-1-(thiophen-2-yl)propan-2-yl)-3-phenylurea
CID 5310292
1-(4-Chlorophenyl)-3-[2-(thiophen-2-yl)ethyl]urea
CID 6457397
1-(3-Morpholin-4-ylpropyl)-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 4247300
1-(4-Chlorophenyl)-3-(thiophen-2-ylmethyl)urea
CID 858202
3-(4-Chlorophenyl)-1,1-bis(thiophen-2-ylmethyl)urea
CID 1163207
1-(3-Chlorophenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 3217863
3-(4-Ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea
CID 4247296
N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-N-(thien-2-ylmethyl)thiourea
CID 4458493
N'-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(thien-2-ylmethyl)thiourea
CID 5073032
3-(3,4-Dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea
CID 5093320
1-(4-Chlorophenyl)-3-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)urea
CID 9551601

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea (CID 4257356) is 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea is O=C(Nc1ccc(Cl)cc1)N(CCCN1CCOCC1)Cc1cccs1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is CWEAIPPFMSOZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c20-16-4-6-17(7-5-16)21-19(24)23(15-18-3-1-14-26-18)9-2-8-22-10-12-25-13-11-22/h1,3-7,14H,2,8-13,15H2,(H,21,24).
What are the key properties of 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea?
3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 393.94 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 4257356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).