1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea

C17H18N2O4S — CID 97215535

IUPAC1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea
SMILESCOc1cccc2cc(CNC(=O)NC[C@H](O)c3ccsc3)oc12
InChIInChI=1S/C17H18N2O4S/c1-22-15-4-2-3-11-7-13(23-16(11)15)8-18-17(21)19-9-14(20)12-5-6-24-10-12/h2-7,10,14,20H,8-9H2,1H3,(H2,18,19,21)/t14-/m0/s1
InChIKeyPGDHIGYMFILUEW-AWEZNQCLSA-N
MW346.41 g/mol
LogP3.04
Rot. Bonds6

About 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea

1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea (PubChem CID 97215535) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea
PubChem CID97215535
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea
SMILESCOc1cccc2cc(CNC(=O)NC[C@H](O)c3ccsc3)oc12
InChIInChI=1S/C17H18N2O4S/c1-22-15-4-2-3-11-7-13(23-16(11)15)8-18-17(21)19-9-14(20)12-5-6-24-10-12/h2-7,10,14,20H,8-9H2,1H3,(H2,18,19,21)/t14-/m0/s1
InChIKeyPGDHIGYMFILUEW-AWEZNQCLSA-N
XLogP3.04
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea with MolForge

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Related Compounds

2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-1-thiophen-3-ylethanol
CID 75472029
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78868688
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 90613369
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664
7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide
CID 111972003
N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 91813433
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95368202
1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 97318785
1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97221546
1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea
CID 97215552
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95367182
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol
CID 115630665

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea (CID 97215535) is 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea is COc1cccc2cc(CNC(=O)NC[C@H](O)c3ccsc3)oc12.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea?
The InChIKey is PGDHIGYMFILUEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-22-15-4-2-3-11-7-13(23-16(11)15)8-18-17(21)19-9-14(20)12-5-6-24-10-12/h2-7,10,14,20H,8-9H2,1H3,(H2,18,19,21)/t14-/m0/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea?
1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea has a molecular weight of 346.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea is sourced from PubChem (CID 97215535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).