1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea

C20H22N2O4S — CID 124892626

IUPAC1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC[C@@](O)(c2ccoc2)c2cccs2)cc1
InChIInChI=1S/C20H22N2O4S/c1-25-17-6-4-15(5-7-17)8-10-21-19(23)22-14-20(24,16-9-11-26-13-16)18-3-2-12-27-18/h2-7,9,11-13,24H,8,10,14H2,1H3,(H2,21,22,23)/t20-/m1/s1
InChIKeyUGBPQVCFMQTEQY-HXUWFJFHSA-N
MW386.47 g/mol
LogP3.13
Rot. Bonds8

About 1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea

1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 124892626) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID124892626
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC[C@@](O)(c2ccoc2)c2cccs2)cc1
InChIInChI=1S/C20H22N2O4S/c1-25-17-6-4-15(5-7-17)8-10-21-19(23)22-14-20(24,16-9-11-26-13-16)18-3-2-12-27-18/h2-7,9,11-13,24H,8,10,14H2,1H3,(H2,21,22,23)/t20-/m1/s1
InChIKeyUGBPQVCFMQTEQY-HXUWFJFHSA-N
XLogP3.13
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129418002
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 124891349
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 121018502
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide
CID 171130567
1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 90558552
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 119101200
1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 126852195
2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 129416706
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 124760027
1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea
CID 90583403
1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 90497661
N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-(4-methoxyphenyl)ethanesulfonamide
CID 121016498

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea (CID 124892626) is 1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)NC[C@@](O)(c2ccoc2)c2cccs2)cc1.
What is the InChIKey of 1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is UGBPQVCFMQTEQY-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-25-17-6-4-15(5-7-17)8-10-21-19(23)22-14-20(24,16-9-11-26-13-16)18-3-2-12-27-18/h2-7,9,11-13,24H,8,10,14H2,1H3,(H2,21,22,23)/t20-/m1/s1.
What are the key properties of 1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 386.47 g/mol, XLogP of 3.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 124892626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).