1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(3-phenylpropyl)urea

C18H25N3OS — CID 30521029

IUPAC1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(3-phenylpropyl)urea
SMILESCN(C)[C@@H](CNC(=O)NCCCc1ccccc1)c1ccsc1
InChIInChI=1S/C18H25N3OS/c1-21(2)17(16-10-12-23-14-16)13-20-18(22)19-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,10,12,14,17H,6,9,11,13H2,1-2H3,(H2,19,20,22)/t17-/m0/s1
InChIKeyMHXKZUKTQNCDAK-KRWDZBQOSA-N
MW331.48 g/mol
LogP3.28
Rot. Bonds8

About 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(3-phenylpropyl)urea

1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(3-phenylpropyl)urea (PubChem CID 30521029) has the molecular formula C18H25N3OS and a molecular weight of 331.48 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(3-phenylpropyl)urea
PubChem CID30521029
Molecular FormulaC18H25N3OS
Molecular Weight331.48 g/mol
Exact Mass331.17
IUPAC Name1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(3-phenylpropyl)urea
SMILESCN(C)[C@@H](CNC(=O)NCCCc1ccccc1)c1ccsc1
InChIInChI=1S/C18H25N3OS/c1-21(2)17(16-10-12-23-14-16)13-20-18(22)19-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,10,12,14,17H,6,9,11,13H2,1-2H3,(H2,19,20,22)/t17-/m0/s1
InChIKeyMHXKZUKTQNCDAK-KRWDZBQOSA-N
XLogP3.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(3-phenylpropyl)urea (CID 30521029) is 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(3-phenylpropyl)urea is CN(C)[C@@H](CNC(=O)NCCCc1ccccc1)c1ccsc1.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(3-phenylpropyl)urea?
The InChIKey is MHXKZUKTQNCDAK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-21(2)17(16-10-12-23-14-16)13-20-18(22)19-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,10,12,14,17H,6,9,11,13H2,1-2H3,(H2,19,20,22)/t17-/m0/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(3-phenylpropyl)urea?
1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(3-phenylpropyl)urea has a molecular weight of 331.48 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 30521029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).