1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea

C23H25N3O2S — CID 78874480

IUPAC1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1-c1cccs1
InChIInChI=1S/C23H25N3O2S/c1-25(17-18-8-10-19(11-9-18)26-12-14-28-15-13-26)23(27)24-21-6-3-2-5-20(21)22-7-4-16-29-22/h2-11,16H,12-15,17H2,1H3,(H,24,27)
InChIKeyWEXHXXHSWIFNSM-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.92
Rot. Bonds5

About 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea

1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea (PubChem CID 78874480) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea.

Molecular Properties

Compound Name1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea
PubChem CID78874480
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1-c1cccs1
InChIInChI=1S/C23H25N3O2S/c1-25(17-18-8-10-19(11-9-18)26-12-14-28-15-13-26)23(27)24-21-6-3-2-5-20(21)22-7-4-16-29-22/h2-11,16H,12-15,17H2,1H3,(H,24,27)
InChIKeyWEXHXXHSWIFNSM-UHFFFAOYSA-N
XLogP4.92
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[(3-hydroxyphenyl)methyl]-1-methyl-3-(2-thiophen-2-ylphenyl)urea
CID 71892671
3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 46649991
3-(4-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 27734751
(E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 26972999
1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 78874975
2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 35603946
1-methyl-3-(2-methylphenyl)-1-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 8530780
1-(4-fluorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 42122122
3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 8530785
1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86831390
3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 38949614
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55966910

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea?
The IUPAC name of 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea (CID 78874480) is 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea.
What is the SMILES notation for 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea?
The canonical SMILES for 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1-c1cccs1.
What is the InChIKey of 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea?
The InChIKey is WEXHXXHSWIFNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-25(17-18-8-10-19(11-9-18)26-12-14-28-15-13-26)23(27)24-21-6-3-2-5-20(21)22-7-4-16-29-22/h2-11,16H,12-15,17H2,1H3,(H,24,27).
What are the key properties of 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea?
1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea has a molecular weight of 407.54 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea is sourced from PubChem (CID 78874480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).