1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea

C16H20N2O3S — CID 95367109

IUPAC1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
SMILESCCOc1ccc(NC(=O)NC[C@@H](O)c2sccc2C)cc1
InChIInChI=1S/C16H20N2O3S/c1-3-21-13-6-4-12(5-7-13)18-16(20)17-10-14(19)15-11(2)8-9-22-15/h4-9,14,19H,3,10H2,1-2H3,(H2,17,18,20)/t14-/m1/s1
InChIKeyKNWTZBAIQBCWKB-CQSZACIVSA-N
MW320.41 g/mol
LogP3.31
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea

1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea (PubChem CID 95367109) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
PubChem CID95367109
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
SMILESCCOc1ccc(NC(=O)NC[C@@H](O)c2sccc2C)cc1
InChIInChI=1S/C16H20N2O3S/c1-3-21-13-6-4-12(5-7-13)18-16(20)17-10-14(19)15-11(2)8-9-22-15/h4-9,14,19H,3,10H2,1-2H3,(H2,17,18,20)/t14-/m1/s1
InChIKeyKNWTZBAIQBCWKB-CQSZACIVSA-N
XLogP3.31
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496926
1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 95157706
1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111430929
3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167760
1-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(4-ethoxyphenyl)urea
CID 121179687
1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea
CID 3823271
N'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496929
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
CID 95982626
1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
CID 90496966
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496911
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 110893691

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea (CID 95367109) is 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea is CCOc1ccc(NC(=O)NC[C@@H](O)c2sccc2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea?
The InChIKey is KNWTZBAIQBCWKB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-3-21-13-6-4-12(5-7-13)18-16(20)17-10-14(19)15-11(2)8-9-22-15/h4-9,14,19H,3,10H2,1-2H3,(H2,17,18,20)/t14-/m1/s1.
What are the key properties of 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea?
1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea has a molecular weight of 320.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea is sourced from PubChem (CID 95367109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).