1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea

C19H17FN2OS — CID 17499433

IUPAC1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea
SMILESCc1ccc(C(NC(=O)Nc2ccc(F)cc2)c2cccs2)cc1
InChIInChI=1S/C19H17FN2OS/c1-13-4-6-14(7-5-13)18(17-3-2-12-24-17)22-19(23)21-16-10-8-15(20)9-11-16/h2-12,18H,1H3,(H2,21,22,23)
InChIKeyRNKOKHNVSOIQKB-UHFFFAOYSA-N
MW340.42 g/mol
LogP5.11
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea

1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea (PubChem CID 17499433) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea
PubChem CID17499433
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC Name1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea
SMILESCc1ccc(C(NC(=O)Nc2ccc(F)cc2)c2cccs2)cc1
InChIInChI=1S/C19H17FN2OS/c1-13-4-6-14(7-5-13)18(17-3-2-12-24-17)22-19(23)21-16-10-8-15(20)9-11-16/h2-12,18H,1H3,(H2,21,22,23)
InChIKeyRNKOKHNVSOIQKB-UHFFFAOYSA-N
XLogP5.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 25358086
(2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide
CID 41441488
N-(4-fluorophenyl)-2-[4-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30622575
ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
CID 60664930
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
(2S)-N-(4-acetamidophenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9051950
(2R)-N-(4-acetamidophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9051953
N-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 40820713
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide
CID 17404206
N-(2,4-difluorophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051750
2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41442393

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea (CID 17499433) is 1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea is Cc1ccc(C(NC(=O)Nc2ccc(F)cc2)c2cccs2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea?
The InChIKey is RNKOKHNVSOIQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS/c1-13-4-6-14(7-5-13)18(17-3-2-12-24-17)22-19(23)21-16-10-8-15(20)9-11-16/h2-12,18H,1H3,(H2,21,22,23).
What are the key properties of 1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea?
1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea has a molecular weight of 340.42 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea is sourced from PubChem (CID 17499433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).