1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea

C17H15ClN2O3S — CID 99873441

IUPAC1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
SMILESO=C(NCc1ccc([C@@H](O)c2ccco2)s1)Nc1ccccc1Cl
InChIInChI=1S/C17H15ClN2O3S/c18-12-4-1-2-5-13(12)20-17(22)19-10-11-7-8-15(24-11)16(21)14-6-3-9-23-14/h1-9,16,21H,10H2,(H2,19,20,22)/t16-/m0/s1
InChIKeyBSVUTRPUALLTBU-INIZCTEOSA-N
MW362.84 g/mol
LogP4.40
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea

1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea (PubChem CID 99873441) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
PubChem CID99873441
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
SMILESO=C(NCc1ccc([C@@H](O)c2ccco2)s1)Nc1ccccc1Cl
InChIInChI=1S/C17H15ClN2O3S/c18-12-4-1-2-5-13(12)20-17(22)19-10-11-7-8-15(24-11)16(21)14-6-3-9-23-14/h1-9,16,21H,10H2,(H2,19,20,22)/t16-/m0/s1
InChIKeyBSVUTRPUALLTBU-INIZCTEOSA-N
XLogP4.40
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea
CID 121134396
1-(3,4-dichlorophenyl)-3-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 121133696
1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 99873436
1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea
CID 121133668
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 121133649
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(2-methylphenyl)oxamide
CID 121133602
2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 121133443
N'-(2-cyanophenyl)-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide
CID 99873406
4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 99873348
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide
CID 121133600
1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876562
2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide
CID 121133461

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea (CID 99873441) is 1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea is O=C(NCc1ccc([C@@H](O)c2ccco2)s1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea?
The InChIKey is BSVUTRPUALLTBU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c18-12-4-1-2-5-13(12)20-17(22)19-10-11-7-8-15(24-11)16(21)14-6-3-9-23-14/h1-9,16,21H,10H2,(H2,19,20,22)/t16-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea?
1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea has a molecular weight of 362.84 g/mol, XLogP of 4.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea is sourced from PubChem (CID 99873441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).