1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea

C18H24ClN3OS — CID 78879839

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea
SMILESCC(NC(=O)NCC(Cc1ccccc1)N(C)C)c1ccc(Cl)s1
InChIInChI=1S/C18H24ClN3OS/c1-13(16-9-10-17(19)24-16)21-18(23)20-12-15(22(2)3)11-14-7-5-4-6-8-14/h4-10,13,15H,11-12H2,1-3H3,(H2,20,21,23)
InChIKeyUQFVVSIIWJLBJB-UHFFFAOYSA-N
MW365.93 g/mol
LogP3.93
Rot. Bonds7

About 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea

1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea (PubChem CID 78879839) has the molecular formula C18H24ClN3OS and a molecular weight of 365.93 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea
PubChem CID78879839
Molecular FormulaC18H24ClN3OS
Molecular Weight365.93 g/mol
Exact Mass365.13
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea
SMILESCC(NC(=O)NCC(Cc1ccccc1)N(C)C)c1ccc(Cl)s1
InChIInChI=1S/C18H24ClN3OS/c1-13(16-9-10-17(19)24-16)21-18(23)20-12-15(22(2)3)11-14-7-5-4-6-8-14/h4-10,13,15H,11-12H2,1-3H3,(H2,20,21,23)
InChIKeyUQFVVSIIWJLBJB-UHFFFAOYSA-N
XLogP3.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.93
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide
CID 51251317
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111440861
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 175120316
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-[2-(dimethylamino)-3-phenylpropyl]-3-ethylguanidine
CID 111702248
2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 61470581
1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17217672
1-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 94029328
1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea
CID 167893298
(2S)-2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 61470760
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 86918031

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea (CID 78879839) is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea is CC(NC(=O)NCC(Cc1ccccc1)N(C)C)c1ccc(Cl)s1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea?
The InChIKey is UQFVVSIIWJLBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3OS/c1-13(16-9-10-17(19)24-16)21-18(23)20-12-15(22(2)3)11-14-7-5-4-6-8-14/h4-10,13,15H,11-12H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea?
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea has a molecular weight of 365.93 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea is sourced from PubChem (CID 78879839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).