1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea

C18H21FN2OS — CID 119065959

IUPAC1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea
SMILESCc1ccc(CNC(=O)N(Cc2sccc2C)C2CC2)cc1F
InChIInChI=1S/C18H21FN2OS/c1-12-3-4-14(9-16(12)19)10-20-18(22)21(15-5-6-15)11-17-13(2)7-8-23-17/h3-4,7-9,15H,5-6,10-11H2,1-2H3,(H,20,22)
InChIKeyZOPYQLMKYBDNNW-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.38
Rot. Bonds5

About 1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea

1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 119065959) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID119065959
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC Name1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea
SMILESCc1ccc(CNC(=O)N(Cc2sccc2C)C2CC2)cc1F
InChIInChI=1S/C18H21FN2OS/c1-12-3-4-14(9-16(12)19)10-20-18(22)21(15-5-6-15)11-17-13(2)7-8-23-17/h3-4,7-9,15H,5-6,10-11H2,1-2H3,(H,20,22)
InChIKeyZOPYQLMKYBDNNW-UHFFFAOYSA-N
XLogP4.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(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-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 119060069
1-(1,1-dioxothiolan-3-yl)-3-[(3-fluoro-4-methylphenyl)methyl]-1-methylurea
CID 43063565
1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421791
3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 30886324
3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 30886325
(2R)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 40953123
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 78814308
2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 64616556
2-[cyclopropyl-[(2-fluorophenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 1031220
2-[cyclopropyl-[(3,5-dimethoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3620471
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-fluorobenzamide
CID 3403213
1-[(4-fluoro-3-hydroxyphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 46935341

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea (CID 119065959) is 1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea is Cc1ccc(CNC(=O)N(Cc2sccc2C)C2CC2)cc1F.
What is the InChIKey of 1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is ZOPYQLMKYBDNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-12-3-4-14(9-16(12)19)10-20-18(22)21(15-5-6-15)11-17-13(2)7-8-23-17/h3-4,7-9,15H,5-6,10-11H2,1-2H3,(H,20,22).
What are the key properties of 1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea?
1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 332.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 119065959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).