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

C19H17ClN2O2S — CID 121134396

IUPAC1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea
SMILESO=C(NCc1ccc(C(O)c2ccccc2)s1)Nc1ccccc1Cl
InChIInChI=1S/C19H17ClN2O2S/c20-15-8-4-5-9-16(15)22-19(24)21-12-14-10-11-17(25-14)18(23)13-6-2-1-3-7-13/h1-11,18,23H,12H2,(H2,21,22,24)
InChIKeyGGWVUTNHRZWNKA-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.80
Rot. Bonds5

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

1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea (PubChem CID 121134396) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea
PubChem CID121134396
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea
SMILESO=C(NCc1ccc(C(O)c2ccccc2)s1)Nc1ccccc1Cl
InChIInChI=1S/C19H17ClN2O2S/c20-15-8-4-5-9-16(15)22-19(24)21-12-14-10-11-17(25-14)18(23)13-6-2-1-3-7-13/h1-11,18,23H,12H2,(H2,21,22,24)
InChIKeyGGWVUTNHRZWNKA-UHFFFAOYSA-N
XLogP4.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 99873441
1-(3,5-dimethylphenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea
CID 121134389
methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate
CID 121134072
5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
CID 121134203
1-(2-fluorophenyl)-3-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]urea
CID 90583778
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide
CID 121134090
1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea
CID 63120342
2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 121133766
N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide
CID 121134301
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 121134188
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide
CID 121134132
1-(3,4-dichlorophenyl)-3-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 121133696

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea (CID 121134396) is 1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea is O=C(NCc1ccc(C(O)c2ccccc2)s1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea?
The InChIKey is GGWVUTNHRZWNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c20-15-8-4-5-9-16(15)22-19(24)21-12-14-10-11-17(25-14)18(23)13-6-2-1-3-7-13/h1-11,18,23H,12H2,(H2,21,22,24).
What are the key properties of 1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea?
1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea has a molecular weight of 372.88 g/mol, XLogP of 4.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea is sourced from PubChem (CID 121134396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).