1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea

C21H18FN3OS — CID 24588097

IUPAC1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea
SMILESO=C(NCC(c1cccs1)c1c[nH]c2ccccc12)Nc1ccccc1F
InChIInChI=1S/C21H18FN3OS/c22-17-7-2-4-9-19(17)25-21(26)24-13-16(20-10-5-11-27-20)15-12-23-18-8-3-1-6-14(15)18/h1-12,16,23H,13H2,(H2,24,25,26)
InChIKeyXJQPLXLBRNRATN-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.32
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea

1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea (PubChem CID 24588097) has the molecular formula C21H18FN3OS and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea
PubChem CID24588097
Molecular FormulaC21H18FN3OS
Molecular Weight379.46 g/mol
Exact Mass379.12
IUPAC Name1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea
SMILESO=C(NCC(c1cccs1)c1c[nH]c2ccccc12)Nc1ccccc1F
InChIInChI=1S/C21H18FN3OS/c22-17-7-2-4-9-19(17)25-21(26)24-13-16(20-10-5-11-27-20)15-12-23-18-8-3-1-6-14(15)18/h1-12,16,23H,13H2,(H2,24,25,26)
InChIKeyXJQPLXLBRNRATN-UHFFFAOYSA-N
XLogP5.32
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
(2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine
CID 97014263
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 55329238
(2S)-N-(4-fluorophenyl)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]propanamide
CID 8645674
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea
CID 55472337
N-[4-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 55366766
1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 55501917
N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide
CID 97191740
(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
CID 102274489
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(3-methylphenoxy)propanamide
CID 55329101

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea (CID 24588097) is 1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea is O=C(NCC(c1cccs1)c1c[nH]c2ccccc12)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea?
The InChIKey is XJQPLXLBRNRATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3OS/c22-17-7-2-4-9-19(17)25-21(26)24-13-16(20-10-5-11-27-20)15-12-23-18-8-3-1-6-14(15)18/h1-12,16,23H,13H2,(H2,24,25,26).
What are the key properties of 1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea?
1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea has a molecular weight of 379.46 g/mol, XLogP of 5.32, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea is sourced from PubChem (CID 24588097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).