1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

C17H23N3O2S — CID 111440796

IUPAC1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESCN(C)Cc1ccccc1CNC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C17H23N3O2S/c1-20(2)11-14-6-4-3-5-13(14)9-18-17(22)19-10-16(21)15-7-8-23-12-15/h3-8,12,16,21H,9-11H2,1-2H3,(H2,18,19,22)
InChIKeyLDZWYPGUFFFFLL-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.34
Rot. Bonds7

About 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (PubChem CID 111440796) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
PubChem CID111440796
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESCN(C)Cc1ccccc1CNC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C17H23N3O2S/c1-20(2)11-14-6-4-3-5-13(14)9-18-17(22)19-10-16(21)15-7-8-23-12-15/h3-8,12,16,21H,9-11H2,1-2H3,(H2,18,19,22)
InChIKeyLDZWYPGUFFFFLL-UHFFFAOYSA-N
XLogP2.34
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937015
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443346
2-[2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]phenyl]acetic acid
CID 106435361
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
2-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbutanamide
CID 111441195
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea
CID 111440872
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234
3-[(dimethylamino)methyl]-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide
CID 71990827
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664
1-[(3-cyanophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111440911
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111440973

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The IUPAC name of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (CID 111440796) is 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is CN(C)Cc1ccccc1CNC(=O)NCC(O)c1ccsc1.
What is the InChIKey of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The InChIKey is LDZWYPGUFFFFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-20(2)11-14-6-4-3-5-13(14)9-18-17(22)19-10-16(21)15-7-8-23-12-15/h3-8,12,16,21H,9-11H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea has a molecular weight of 333.46 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is sourced from PubChem (CID 111440796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).