Skip to content

N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide

C26H28N2O2S — CID 1059814

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccc(C)s2)C2CC2)cc1
InChIInChI=1S/C26H28N2O2S/c1-19-8-11-22(12-9-19)26(30)28(23-13-14-23)18-25(29)27(16-21-6-4-3-5-7-21)17-24-15-10-20(2)31-24/h3-12,15,23H,13-14,16-18H2,1-2H3
InChIKeyGVMMQNQMUCGCQU-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.20
Rot. Bonds8

About N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide

N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 1059814) has the molecular formula C26H28N2O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
PubChem CID1059814
Molecular FormulaC26H28N2O2S
Molecular Weight432.59 g/mol
Exact Mass432.19
IUPAC NameN-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccc(C)s2)C2CC2)cc1
InChIInChI=1S/C26H28N2O2S/c1-19-8-11-22(12-9-19)26(30)28(23-13-14-23)18-25(29)27(16-21-6-4-3-5-7-21)17-24-15-10-20(2)31-24/h3-12,15,23H,13-14,16-18H2,1-2H3
InChIKeyGVMMQNQMUCGCQU-UHFFFAOYSA-N
XLogP5.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide (CID 1059814) is N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccc(C)s2)C2CC2)cc1.
What is the InChIKey of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is GVMMQNQMUCGCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2S/c1-19-8-11-22(12-9-19)26(30)28(23-13-14-23)18-25(29)27(16-21-6-4-3-5-7-21)17-24-15-10-20(2)31-24/h3-12,15,23H,13-14,16-18H2,1-2H3.
What are the key properties of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide?
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 432.59 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 1059814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.