1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea

C19H27N3O2S — CID 30606344

IUPAC1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
SMILESCCCCOc1ccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1
InChIInChI=1S/C19H27N3O2S/c1-4-5-11-24-17-8-6-16(7-9-17)21-19(23)20-13-18(22(2)3)15-10-12-25-14-15/h6-10,12,14,18H,4-5,11,13H2,1-3H3,(H2,20,21,23)/t18-/m0/s1
InChIKeyQHNLALSXOGEXSG-SFHVURJKSA-N
MW361.51 g/mol
LogP4.35
Rot. Bonds9

About 1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea

1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea (PubChem CID 30606344) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
PubChem CID30606344
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
SMILESCCCCOc1ccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1
InChIInChI=1S/C19H27N3O2S/c1-4-5-11-24-17-8-6-16(7-9-17)21-19(23)20-13-18(22(2)3)15-10-12-25-14-15/h6-10,12,14,18H,4-5,11,13H2,1-3H3,(H2,20,21,23)/t18-/m0/s1
InChIKeyQHNLALSXOGEXSG-SFHVURJKSA-N
XLogP4.35
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]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

1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095
1-(3,5-dimethoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30606334
2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide
CID 51116703
1-(3-butoxyphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443170
N-[5-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]-2-methylphenyl]acetamide
CID 55745225
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 16931216
N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide
CID 16932111
4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 46593287
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94181212
1-(4-butoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122162318
1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30521007
1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-methoxyphenyl)urea
CID 51953945

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
The IUPAC name of 1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea (CID 30606344) is 1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea.
What is the SMILES notation for 1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
The canonical SMILES for 1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea is CCCCOc1ccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
The InChIKey is QHNLALSXOGEXSG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-4-5-11-24-17-8-6-16(7-9-17)21-19(23)20-13-18(22(2)3)15-10-12-25-14-15/h6-10,12,14,18H,4-5,11,13H2,1-3H3,(H2,20,21,23)/t18-/m0/s1.
What are the key properties of 1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea?
1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea has a molecular weight of 361.51 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea is sourced from PubChem (CID 30606344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).