3-methyl-N-[(Z)-3-[3-(2-methyl-2,3-dihydroindol-1-yl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

C27H29N3O2S — CID 133224681

IUPAC3-methyl-N-[(Z)-3-[3-(2-methyl-2,3-dihydroindol-1-yl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
SMILESCc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCN2c3ccccc3CC2C)c1
InChIInChI=1S/C27H29N3O2S/c1-19-8-5-10-22(16-19)26(31)29-24(18-23-11-6-15-33-23)27(32)28-13-7-14-30-20(2)17-21-9-3-4-12-25(21)30/h3-6,8-12,15-16,18,20H,7,13-14,17H2,1-2H3,(H,28,32)(H,29,31)/b24-18-
InChIKeySTCWCZSBVATMGP-MOHJPFBDSA-N
MW459.62 g/mol
LogP4.78
Rot. Bonds8

About 3-methyl-N-[(Z)-3-[3-(2-methyl-2,3-dihydroindol-1-yl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

3-methyl-N-[(Z)-3-[3-(2-methyl-2,3-dihydroindol-1-yl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide (PubChem CID 133224681) has the molecular formula C27H29N3O2S and a molecular weight of 459.62 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-3-[3-(2-methyl-2,3-dihydroindol-1-yl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(Z)-3-[3-(2-methyl-2,3-dihydroindol-1-yl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
PubChem CID133224681
Molecular FormulaC27H29N3O2S
Molecular Weight459.62 g/mol
Exact Mass459.20
IUPAC Name3-methyl-N-[(Z)-3-[3-(2-methyl-2,3-dihydroindol-1-yl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
SMILESCc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCN2c3ccccc3CC2C)c1
InChIInChI=1S/C27H29N3O2S/c1-19-8-5-10-22(16-19)26(31)29-24(18-23-11-6-15-33-23)27(32)28-13-7-14-30-20(2)17-21-9-3-4-12-25(21)30/h3-6,8-12,15-16,18,20H,7,13-14,17H2,1-2H3,(H,28,32)(H,29,31)/b24-18-
InChIKeySTCWCZSBVATMGP-MOHJPFBDSA-N
XLogP4.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-methyl-N-[(Z)-3-[3-(2-methyl-2,3-dihydroindol-1-yl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-N-[(Z)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 125058426
2-methyl-N-[(Z)-3-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100743414
N-[(Z)-1-(furan-2-yl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 100566249
3-methyl-N-[(Z)-3-[2-(3-methylphenoxy)ethylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100548453
N-[(E)-3-[3-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]amino]propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 139228872
3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 100514224
3-methyl-N-[(Z)-3-oxo-3-(pyridin-2-ylmethylamino)-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100737498
2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 125059686
N-[(Z)-3-(3,4-dimethylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3-methylbenzamide
CID 100691754
3-methyl-N-[(Z)-3-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100530226
3-methyl-N-[(Z)-3-oxo-3-(1-phenylpropylamino)-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 133219201
3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide
CID 133231360

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-3-[3-(2-methyl-2,3-dihydroindol-1-yl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[(Z)-3-[3-(2-methyl-2,3-dihydroindol-1-yl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide (CID 133224681) is 3-methyl-N-[(Z)-3-[3-(2-methyl-2,3-dihydroindol-1-yl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[(Z)-3-[3-(2-methyl-2,3-dihydroindol-1-yl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[(Z)-3-[3-(2-methyl-2,3-dihydroindol-1-yl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCN2c3ccccc3CC2C)c1.
What is the InChIKey of 3-methyl-N-[(Z)-3-[3-(2-methyl-2,3-dihydroindol-1-yl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The InChIKey is STCWCZSBVATMGP-MOHJPFBDSA-N. The full InChI is InChI=1S/C27H29N3O2S/c1-19-8-5-10-22(16-19)26(31)29-24(18-23-11-6-15-33-23)27(32)28-13-7-14-30-20(2)17-21-9-3-4-12-25(21)30/h3-6,8-12,15-16,18,20H,7,13-14,17H2,1-2H3,(H,28,32)(H,29,31)/b24-18-.
What are the key properties of 3-methyl-N-[(Z)-3-[3-(2-methyl-2,3-dihydroindol-1-yl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
3-methyl-N-[(Z)-3-[3-(2-methyl-2,3-dihydroindol-1-yl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide has a molecular weight of 459.62 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(Z)-3-[3-(2-methyl-2,3-dihydroindol-1-yl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 133224681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).