1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea

C17H22N2OS — CID 33421833

IUPAC1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCCc1ccc(CN(C)C(=O)NCc2sccc2C)cc1
InChIInChI=1S/C17H22N2OS/c1-4-14-5-7-15(8-6-14)12-19(3)17(20)18-11-16-13(2)9-10-21-16/h5-10H,4,11-12H2,1-3H3,(H,18,20)
InChIKeyOYGWWDYRCFCRIT-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.96
Rot. Bonds5

About 1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea

1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 33421833) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID33421833
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCCc1ccc(CN(C)C(=O)NCc2sccc2C)cc1
InChIInChI=1S/C17H22N2OS/c1-4-14-5-7-15(8-6-14)12-19(3)17(20)18-11-16-13(2)9-10-21-16/h5-10H,4,11-12H2,1-3H3,(H,18,20)
InChIKeyOYGWWDYRCFCRIT-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]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

1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421791
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
2-(4-ethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959130
4-(4-ethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
CID 32958226
1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421773
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 27517905
3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea
CID 115192722
3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea
CID 52570254
N-benzyl-N-methyl-3-[[N'-methyl-N-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]propanamide
CID 111893999
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 122565612
1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 16608962

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea (CID 33421833) is 1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea is CCc1ccc(CN(C)C(=O)NCc2sccc2C)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is OYGWWDYRCFCRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-4-14-5-7-15(8-6-14)12-19(3)17(20)18-11-16-13(2)9-10-21-16/h5-10H,4,11-12H2,1-3H3,(H,18,20).
What are the key properties of 1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea?
1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 302.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 33421833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).