1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea

C19H20N2O3S2 — CID 124878238

IUPAC1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea
SMILESCCOc1ccccc1NC(=O)NC[C@](O)(c1ccsc1)c1cccs1
InChIInChI=1S/C19H20N2O3S2/c1-2-24-16-7-4-3-6-15(16)21-18(22)20-13-19(23,14-9-11-25-12-14)17-8-5-10-26-17/h3-12,23H,2,13H2,1H3,(H2,20,21,22)/t19-/m0/s1
InChIKeyXCBCTKPPHAWKBX-IBGZPJMESA-N
MW388.51 g/mol
LogP4.27
Rot. Bonds7

About 1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea

1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea (PubChem CID 124878238) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea
PubChem CID124878238
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea
SMILESCCOc1ccccc1NC(=O)NC[C@](O)(c1ccsc1)c1cccs1
InChIInChI=1S/C19H20N2O3S2/c1-2-24-16-7-4-3-6-15(16)21-18(22)20-13-19(23,14-9-11-25-12-14)17-8-5-10-26-17/h3-12,23H,2,13H2,1H3,(H2,20,21,22)/t19-/m0/s1
InChIKeyXCBCTKPPHAWKBX-IBGZPJMESA-N
XLogP4.27
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
CID 121170348
(2R)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylbutanamide
CID 124875908
4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide
CID 121170103
2-ethoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
CID 121170232
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide
CID 121170316
N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170286
1-(2-hydroxy-2,2-dithiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 119099265
1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120450
N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170293
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 124875855
1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111442981

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea (CID 124878238) is 1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea is CCOc1ccccc1NC(=O)NC[C@](O)(c1ccsc1)c1cccs1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea?
The InChIKey is XCBCTKPPHAWKBX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-2-24-16-7-4-3-6-15(16)21-18(22)20-13-19(23,14-9-11-25-12-14)17-8-5-10-26-17/h3-12,23H,2,13H2,1H3,(H2,20,21,22)/t19-/m0/s1.
What are the key properties of 1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea?
1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea has a molecular weight of 388.51 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]urea is sourced from PubChem (CID 124878238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).