1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea

C18H24N2O3S — CID 126852195

IUPAC1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCC(C)(O)Cc2ccsc2)cc1
InChIInChI=1S/C18H24N2O3S/c1-18(22,11-15-8-10-24-12-15)13-20-17(21)19-9-7-14-3-5-16(23-2)6-4-14/h3-6,8,10,12,22H,7,9,11,13H2,1-2H3,(H2,19,20,21)
InChIKeyDDRWYOLWVIZPCU-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.59
Rot. Bonds8

About 1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea

1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 126852195) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID126852195
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCC(C)(O)Cc2ccsc2)cc1
InChIInChI=1S/C18H24N2O3S/c1-18(22,11-15-8-10-24-12-15)13-20-17(21)19-9-7-14-3-5-16(23-2)6-4-14/h3-6,8,10,12,22H,7,9,11,13H2,1-2H3,(H2,19,20,21)
InChIKeyDDRWYOLWVIZPCU-UHFFFAOYSA-N
XLogP2.59
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 95984566
1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 90497661
1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea
CID 71804806
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9323185
N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100700105
1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 97428539
2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol
CID 66038642
1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 124892626
1-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(naphthalen-1-ylmethyl)urea
CID 71782105
N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 126852191
N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine
CID 66350177
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea (CID 126852195) is 1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)NCC(C)(O)Cc2ccsc2)cc1.
What is the InChIKey of 1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is DDRWYOLWVIZPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-18(22,11-15-8-10-24-12-15)13-20-17(21)19-9-7-14-3-5-16(23-2)6-4-14/h3-6,8,10,12,22H,7,9,11,13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 348.47 g/mol, XLogP of 2.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 126852195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).