2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide

C24H24F2N2O2S — CID 24657377

IUPAC2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CCNC(=O)c2ccc(F)cc2F)s1
InChIInChI=1S/C24H24F2N2O2S/c1-17-7-9-20(31-17)16-28(14-12-18-5-3-2-4-6-18)23(29)11-13-27-24(30)21-10-8-19(25)15-22(21)26/h2-10,15H,11-14,16H2,1H3,(H,27,30)
InChIKeyNRTURZSVLCNVLR-UHFFFAOYSA-N
MW442.53 g/mol
LogP4.73
Rot. Bonds9

About 2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide

2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide (PubChem CID 24657377) has the molecular formula C24H24F2N2O2S and a molecular weight of 442.53 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide
PubChem CID24657377
Molecular FormulaC24H24F2N2O2S
Molecular Weight442.53 g/mol
Exact Mass442.15
IUPAC Name2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CCNC(=O)c2ccc(F)cc2F)s1
InChIInChI=1S/C24H24F2N2O2S/c1-17-7-9-20(31-17)16-28(14-12-18-5-3-2-4-6-18)23(29)11-13-27-24(30)21-10-8-19(25)15-22(21)26/h2-10,15H,11-14,16H2,1H3,(H,27,30)
InChIKeyNRTURZSVLCNVLR-UHFFFAOYSA-N
XLogP4.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide with MolForge

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Related Compounds

N-[3-[benzyl(cyanomethyl)amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55864480
4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120559324
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 29478462
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 78838061
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-fluoro-N-propylbenzamide
CID 4036279
2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide
CID 32769873
2,4-difluoro-N-[3-[N-(furan-2-ylmethyl)-4-methylanilino]-3-oxopropyl]benzamide
CID 30670484
[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289566
2-(2-methyl-1,3-thiazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 134008275
4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride
CID 120587303
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide
CID 120884702
(2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 94797374

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide (CID 24657377) is 2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide is Cc1ccc(CN(CCc2ccccc2)C(=O)CCNC(=O)c2ccc(F)cc2F)s1.
What is the InChIKey of 2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide?
The InChIKey is NRTURZSVLCNVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O2S/c1-17-7-9-20(31-17)16-28(14-12-18-5-3-2-4-6-18)23(29)11-13-27-24(30)21-10-8-19(25)15-22(21)26/h2-10,15H,11-14,16H2,1H3,(H,27,30).
What are the key properties of 2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide?
2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide has a molecular weight of 442.53 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 24657377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).