1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea

C15H19ClN2O3S — CID 111479494

IUPAC1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
SMILESCc1ccc(C(C)(O)CNC(=O)NCCc2ccc(Cl)s2)o1
InChIInChI=1S/C15H19ClN2O3S/c1-10-3-5-12(21-10)15(2,20)9-18-14(19)17-8-7-11-4-6-13(16)22-11/h3-6,20H,7-9H2,1-2H3,(H2,17,18,19)
InChIKeyZDTWRVAHKRHDPT-UHFFFAOYSA-N
MW342.85 g/mol
LogP3.05
Rot. Bonds6

About 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea

1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea (PubChem CID 111479494) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
PubChem CID111479494
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC Name1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
SMILESCc1ccc(C(C)(O)CNC(=O)NCCc2ccc(Cl)s2)o1
InChIInChI=1S/C15H19ClN2O3S/c1-10-3-5-12(21-10)15(2,20)9-18-14(19)17-8-7-11-4-6-13(16)22-11/h3-6,20H,7-9H2,1-2H3,(H2,17,18,19)
InChIKeyZDTWRVAHKRHDPT-UHFFFAOYSA-N
XLogP3.05
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 96518723
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504992
1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 96518481
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111482880
1-(2-chlorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472648
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
CID 111481021
N-[3-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 111520060
1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472987
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
CID 111486871
1-(2-chloro-5-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111474596
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 114140578

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea (CID 111479494) is 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea is Cc1ccc(C(C)(O)CNC(=O)NCCc2ccc(Cl)s2)o1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The InChIKey is ZDTWRVAHKRHDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c1-10-3-5-12(21-10)15(2,20)9-18-14(19)17-8-7-11-4-6-13(16)22-11/h3-6,20H,7-9H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea has a molecular weight of 342.85 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea is sourced from PubChem (CID 111479494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).