1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea

C17H22N2O3S — CID 111443990

IUPAC1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea
SMILESCOCC(NC(=O)NCC(C)(O)c1cccs1)c1ccccc1
InChIInChI=1S/C17H22N2O3S/c1-17(21,15-9-6-10-23-15)12-18-16(20)19-14(11-22-2)13-7-4-3-5-8-13/h3-10,14,21H,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyNHEMSFJDBJWMAI-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.64
Rot. Bonds7

About 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea

1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea (PubChem CID 111443990) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea
PubChem CID111443990
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea
SMILESCOCC(NC(=O)NCC(C)(O)c1cccs1)c1ccccc1
InChIInChI=1S/C17H22N2O3S/c1-17(21,15-9-6-10-23-15)12-18-16(20)19-14(11-22-2)13-7-4-3-5-8-13/h3-10,14,21H,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyNHEMSFJDBJWMAI-UHFFFAOYSA-N
XLogP2.64
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide
CID 111442221
1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111440963
1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111440971
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)urea
CID 111440752
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide
CID 121085799
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide
CID 111519603
1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111442981
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methoxy-1-phenylethyl)urea
CID 111618774

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea (CID 111443990) is 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea is COCC(NC(=O)NCC(C)(O)c1cccs1)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea?
The InChIKey is NHEMSFJDBJWMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-17(21,15-9-6-10-23-15)12-18-16(20)19-14(11-22-2)13-7-4-3-5-8-13/h3-10,14,21H,11-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea?
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea has a molecular weight of 334.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea is sourced from PubChem (CID 111443990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).