1-[2-amino-5-(4-methylphenoxy)phenyl]-3-(thiophen-2-ylmethyl)urea

C19H19N3O2S — CID 143443839

IUPAC1-[2-amino-5-(4-methylphenoxy)phenyl]-3-(thiophen-2-ylmethyl)urea
SMILESCc1ccc(Oc2ccc(N)c(NC(=O)NCc3cccs3)c2)cc1
InChIInChI=1S/C19H19N3O2S/c1-13-4-6-14(7-5-13)24-15-8-9-17(20)18(11-15)22-19(23)21-12-16-3-2-10-25-16/h2-11H,12,20H2,1H3,(H2,21,22,23)
InChIKeyZEJUZYHTBMBPJI-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.75
Rot. Bonds5

About 1-[2-amino-5-(4-methylphenoxy)phenyl]-3-(thiophen-2-ylmethyl)urea

1-[2-amino-5-(4-methylphenoxy)phenyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 143443839) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-[2-amino-5-(4-methylphenoxy)phenyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-amino-5-(4-methylphenoxy)phenyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID143443839
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name1-[2-amino-5-(4-methylphenoxy)phenyl]-3-(thiophen-2-ylmethyl)urea
SMILESCc1ccc(Oc2ccc(N)c(NC(=O)NCc3cccs3)c2)cc1
InChIInChI=1S/C19H19N3O2S/c1-13-4-6-14(7-5-13)24-15-8-9-17(20)18(11-15)22-19(23)21-12-16-3-2-10-25-16/h2-11H,12,20H2,1H3,(H2,21,22,23)
InChIKeyZEJUZYHTBMBPJI-UHFFFAOYSA-N
XLogP4.75
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 42994656
3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide
CID 174883197
N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201
1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47195993
1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897439
1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47041181
1-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 60620217
1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 75507329
2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 46571619
1-(3-chloro-2-methyl-4-pyridinyl)-3-(thiophen-2-ylmethyl)urea
CID 86789194
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
1-(thiophen-2-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47173526

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(4-methylphenoxy)phenyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-amino-5-(4-methylphenoxy)phenyl]-3-(thiophen-2-ylmethyl)urea (CID 143443839) is 1-[2-amino-5-(4-methylphenoxy)phenyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-amino-5-(4-methylphenoxy)phenyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-amino-5-(4-methylphenoxy)phenyl]-3-(thiophen-2-ylmethyl)urea is Cc1ccc(Oc2ccc(N)c(NC(=O)NCc3cccs3)c2)cc1.
What is the InChIKey of 1-[2-amino-5-(4-methylphenoxy)phenyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is ZEJUZYHTBMBPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-4-6-14(7-5-13)24-15-8-9-17(20)18(11-15)22-19(23)21-12-16-3-2-10-25-16/h2-11H,12,20H2,1H3,(H2,21,22,23).
What are the key properties of 1-[2-amino-5-(4-methylphenoxy)phenyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-amino-5-(4-methylphenoxy)phenyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 353.45 g/mol, XLogP of 4.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(4-methylphenoxy)phenyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 143443839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).