N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)-propylamino]acetamide

C26H29FN2O3S — CID 3284962

IUPACN-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)-propylamino]acetamide
SMILESCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C)C(=O)COc1ccccc1
InChIInChI=1S/C26H29FN2O3S/c1-3-14-28(26(31)19-32-23-7-5-4-6-8-23)18-25(30)29(17-24-20(2)13-15-33-24)16-21-9-11-22(27)12-10-21/h4-13,15H,3,14,16-19H2,1-2H3
InChIKeyDIUZMSMIXKYZCT-UHFFFAOYSA-N
MW468.59 g/mol
LogP5.04
Rot. Bonds11

About N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)-propylamino]acetamide

N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)-propylamino]acetamide (PubChem CID 3284962) has the molecular formula C26H29FN2O3S and a molecular weight of 468.59 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)-propylamino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)-propylamino]acetamide
PubChem CID3284962
Molecular FormulaC26H29FN2O3S
Molecular Weight468.59 g/mol
Exact Mass468.19
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)-propylamino]acetamide
SMILESCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C)C(=O)COc1ccccc1
InChIInChI=1S/C26H29FN2O3S/c1-3-14-28(26(31)19-32-23-7-5-4-6-8-23)18-25(30)29(17-24-20(2)13-15-33-24)16-21-9-11-22(27)12-10-21/h4-13,15H,3,14,16-19H2,1-2H3
InChIKeyDIUZMSMIXKYZCT-UHFFFAOYSA-N
XLogP5.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.59
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl-(2-phenoxyacetyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4188014
4-butoxy-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 3649572
2-[benzylcarbamoyl(propyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3644457
2-fluoro-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4098671
N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 4606813
N-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4599559
2-[(2-bromophenyl)carbamoyl-propylamino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4057137
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluoro-N-propylbenzamide
CID 4166505
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 4082889
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-prop-2-enylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 42776543
2-[butan-2-yl-(2-phenylmethoxyacetyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3313838
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
CID 4608074

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)-propylamino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)-propylamino]acetamide (CID 3284962) is N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)-propylamino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)-propylamino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)-propylamino]acetamide is CCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C)C(=O)COc1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)-propylamino]acetamide?
The InChIKey is DIUZMSMIXKYZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O3S/c1-3-14-28(26(31)19-32-23-7-5-4-6-8-23)18-25(30)29(17-24-20(2)13-15-33-24)16-21-9-11-22(27)12-10-21/h4-13,15H,3,14,16-19H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)-propylamino]acetamide?
N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)-propylamino]acetamide has a molecular weight of 468.59 g/mol, XLogP of 5.04, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)-propylamino]acetamide is sourced from PubChem (CID 3284962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).