1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea

C17H22N2O3S — CID 97215552

IUPAC1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea
SMILESCC[C@@H](NC(=O)NC[C@H](O)c1ccsc1)c1ccccc1OC
InChIInChI=1S/C17H22N2O3S/c1-3-14(13-6-4-5-7-16(13)22-2)19-17(21)18-10-15(20)12-8-9-23-11-12/h4-9,11,14-15,20H,3,10H2,1-2H3,(H2,18,19,21)/t14-,15+/m1/s1
InChIKeyMRWNHVXFTRHZMQ-CABCVRRESA-N
MW334.44 g/mol
LogP3.24
Rot. Bonds7

About 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea

1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea (PubChem CID 97215552) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea
PubChem CID97215552
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea
SMILESCC[C@@H](NC(=O)NC[C@H](O)c1ccsc1)c1ccccc1OC
InChIInChI=1S/C17H22N2O3S/c1-3-14(13-6-4-5-7-16(13)22-2)19-17(21)18-10-15(20)12-8-9-23-11-12/h4-9,11,14-15,20H,3,10H2,1-2H3,(H2,18,19,21)/t14-,15+/m1/s1
InChIKeyMRWNHVXFTRHZMQ-CABCVRRESA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664
1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111456030
1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090502
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol
CID 103785255
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435231
1-[(1S)-1-(2-methoxyphenyl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047902
N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
CID 90496673
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[2-(2-methylpropoxy)phenyl]urea
CID 111443137
1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea
CID 97215535
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443346

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea (CID 97215552) is 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea is CC[C@@H](NC(=O)NC[C@H](O)c1ccsc1)c1ccccc1OC.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea?
The InChIKey is MRWNHVXFTRHZMQ-CABCVRRESA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-3-14(13-6-4-5-7-16(13)22-2)19-17(21)18-10-15(20)12-8-9-23-11-12/h4-9,11,14-15,20H,3,10H2,1-2H3,(H2,18,19,21)/t14-,15+/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea?
1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea has a molecular weight of 334.44 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(1R)-1-(2-methoxyphenyl)propyl]urea is sourced from PubChem (CID 97215552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).