1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea

C24H24FN3OS — CID 55472337

IUPAC1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea
SMILESCC(c1ccc(F)cc1)N(C)C(=O)NCC(c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H24FN3OS/c1-16(17-9-11-18(25)12-10-17)28(2)24(29)27-15-21(23-8-5-13-30-23)20-14-26-22-7-4-3-6-19(20)22/h3-14,16,21,26H,15H2,1-2H3,(H,27,29)
InChIKeyKGOZHHSALQSDDR-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.90
Rot. Bonds6

About 1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea

1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea (PubChem CID 55472337) has the molecular formula C24H24FN3OS and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea
PubChem CID55472337
Molecular FormulaC24H24FN3OS
Molecular Weight421.54 g/mol
Exact Mass421.16
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea
SMILESCC(c1ccc(F)cc1)N(C)C(=O)NCC(c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H24FN3OS/c1-16(17-9-11-18(25)12-10-17)28(2)24(29)27-15-21(23-8-5-13-30-23)20-14-26-22-7-4-3-6-19(20)22/h3-14,16,21,26H,15H2,1-2H3,(H,27,29)
InChIKeyKGOZHHSALQSDDR-UHFFFAOYSA-N
XLogP5.90
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea 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

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
(2S)-N-(4-fluorophenyl)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]propanamide
CID 8645674
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 55329238
1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea
CID 24588097
4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide
CID 26821151
(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
CID 102274489
3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 4858646
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 55329076
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 9452151
N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide
CID 97191740

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea (CID 55472337) is 1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea is CC(c1ccc(F)cc1)N(C)C(=O)NCC(c1cccs1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea?
The InChIKey is KGOZHHSALQSDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3OS/c1-16(17-9-11-18(25)12-10-17)28(2)24(29)27-15-21(23-8-5-13-30-23)20-14-26-22-7-4-3-6-19(20)22/h3-14,16,21,26H,15H2,1-2H3,(H,27,29).
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea?
1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea has a molecular weight of 421.54 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea is sourced from PubChem (CID 55472337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).