N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide

C25H26N2O3S — CID 5145973

IUPACN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C25H26N2O3S/c1-30-22-13-9-20(10-14-22)25(29)27(21-11-12-21)18-24(28)26(17-23-8-5-15-31-23)16-19-6-3-2-4-7-19/h2-10,13-15,21H,11-12,16-18H2,1H3
InChIKeyAZJDKYYPMLIAGS-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.59
Rot. Bonds9

About N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide (PubChem CID 5145973) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide
PubChem CID5145973
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC NameN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C25H26N2O3S/c1-30-22-13-9-20(10-14-22)25(29)27(21-11-12-21)18-24(28)26(17-23-8-5-15-31-23)16-19-6-3-2-4-7-19/h2-10,13-15,21H,11-12,16-18H2,1H3
InChIKeyAZJDKYYPMLIAGS-UHFFFAOYSA-N
XLogP4.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2,6-dimethoxybenzamide
CID 1059668
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 1059680
N-cyclopropyl-4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 4694387
N-benzyl-2-[cyclohexyl-[(3,5-dimethoxyphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3339439
N-benzyl-2-[cyclohexyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4003923
4-butyl-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 5207803
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-bromo-N-cyclohexylbenzamide
CID 5018410
N-benzyl-2-[cyclopropyl-[(2,6-dichlorophenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1060053
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide
CID 1058909
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 42776366
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 1059814
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-phenylpropanamide
CID 5063733

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide?
The IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide (CID 5145973) is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide.
What is the SMILES notation for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide?
The canonical SMILES for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide is COc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2cccs2)C2CC2)cc1.
What is the InChIKey of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide?
The InChIKey is AZJDKYYPMLIAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-30-22-13-9-20(10-14-22)25(29)27(21-11-12-21)18-24(28)26(17-23-8-5-15-31-23)16-19-6-3-2-4-7-19/h2-10,13-15,21H,11-12,16-18H2,1H3.
What are the key properties of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide?
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide has a molecular weight of 434.56 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide is sourced from PubChem (CID 5145973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).