1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea

C17H15ClN2O2S — CID 121019277

IUPAC1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NCc1ccc(-c2ccsc2)o1
InChIInChI=1S/C17H15ClN2O2S/c18-14-3-1-12(2-4-14)9-19-17(21)20-10-15-5-6-16(22-15)13-7-8-23-11-13/h1-8,11H,9-10H2,(H2,19,20,21)
InChIKeyWINQRTJYHJHDLV-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.66
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea

1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea (PubChem CID 121019277) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea
PubChem CID121019277
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NCc1ccc(-c2ccsc2)o1
InChIInChI=1S/C17H15ClN2O2S/c18-14-3-1-12(2-4-14)9-19-17(21)20-10-15-5-6-16(22-15)13-7-8-23-11-13/h1-8,11H,9-10H2,(H2,19,20,21)
InChIKeyWINQRTJYHJHDLV-UHFFFAOYSA-N
XLogP4.66
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]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

(5-thiophen-3-ylfuran-2-yl)methanol
CID 19744465
N-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 121019236
(E)-3-(furan-3-yl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide
CID 121019250
3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide
CID 126854811
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 24588409
2-(4-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596848
2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 121165718
N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9120196
(4S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125175436
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide
CID 54858020
1-amino-3-[(4-chlorophenyl)methyl]urea
CID 43163863
1-[(4-chlorophenyl)methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111130694

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea (CID 121019277) is 1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea is O=C(NCc1ccc(Cl)cc1)NCc1ccc(-c2ccsc2)o1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea?
The InChIKey is WINQRTJYHJHDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c18-14-3-1-12(2-4-14)9-19-17(21)20-10-15-5-6-16(22-15)13-7-8-23-11-13/h1-8,11H,9-10H2,(H2,19,20,21).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea?
1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea has a molecular weight of 346.84 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea is sourced from PubChem (CID 121019277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).