acetylene;2-cyano-N-ethylacetamide;3,5-diethyl-2-methylidene-1,3-thiazolidine;2-(2,2-dimethylpropanoylamino)-4-(methylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide

C34H55N7O3S — CID 143042510

About acetylene;2-cyano-N-ethylacetamide;3,5-diethyl-2-methylidene-1,3-thiazolidine;2-(2,2-dimethylpropanoylamino)-4-(methylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide

acetylene;2-cyano-N-ethylacetamide;3,5-diethyl-2-methylidene-1,3-thiazolidine;2-(2,2-dimethylpropanoylamino)-4-(methylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 143042510) has the molecular formula C34H55N7O3S and a molecular weight of 641.93 g/mol. Its IUPAC name is acetylene;2-cyano-N-ethylacetamide;3,5-diethyl-2-methylidene-1,3-thiazolidine;2-(2,2-dimethylpropanoylamino)-4-(methylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

• Compound Name: acetylene;2-cyano-N-ethylacetamide;3,5-diethyl-2-methylidene-1,3-thiazolidine;2-(2,2-dimethylpropanoylamino)-4-(methylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
• PubChem CID: 143042510
• Molecular Formula: C34H55N7O3S
• Molecular Weight: 641.93 g/mol
• Exact Mass: 641.41
• IUPAC Name: acetylene;2-cyano-N-ethylacetamide;3,5-diethyl-2-methylidene-1,3-thiazolidine;2-(2,2-dimethylpropanoylamino)-4-(methylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
• SMILES: C#C.C=C1SC(CC)CN1CC.CCNC(=O)CC#N.CNc1ccc(C(=O)NCCN2CCCC2)c(NC(=O)C(C)(C)C)c1
• InChI: InChI=1S/C19H30N4O2.C8H15NS.C5H8N2O.C2H2/c1-19(2,3)18(25)22-16-13-14(20-4)7-8-15(16)17(24)21-9-12-23-10-5-6-11-23;1-4-8-6-9(5-2)7(3)10-8;1-2-7-5(8)3-4-6;1-2/h7-8,13,20H,5-6,9-12H2,1-4H3,(H,21,24)(H,22,25);8H,3-6H2,1-2H3;2-3H2,1H3,(H,7,8);1-2H
• InChIKey: MPRONSUAVDCJCV-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 129.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.93
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetylene;2-cyano-N-ethylacetamide;3,5-diethyl-2-methylidene-1,3-thiazolidine;2-(2,2-dimethylpropanoylamino)-4-(methylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide?

The IUPAC name of acetylene;2-cyano-N-ethylacetamide;3,5-diethyl-2-methylidene-1,3-thiazolidine;2-(2,2-dimethylpropanoylamino)-4-(methylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 143042510) is acetylene;2-cyano-N-ethylacetamide;3,5-diethyl-2-methylidene-1,3-thiazolidine;2-(2,2-dimethylpropanoylamino)-4-(methylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide.

What is the SMILES notation for acetylene;2-cyano-N-ethylacetamide;3,5-diethyl-2-methylidene-1,3-thiazolidine;2-(2,2-dimethylpropanoylamino)-4-(methylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide?

The canonical SMILES for acetylene;2-cyano-N-ethylacetamide;3,5-diethyl-2-methylidene-1,3-thiazolidine;2-(2,2-dimethylpropanoylamino)-4-(methylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide is C#C.C=C1SC(CC)CN1CC.CCNC(=O)CC#N.CNc1ccc(C(=O)NCCN2CCCC2)c(NC(=O)C(C)(C)C)c1.

What is the InChIKey of acetylene;2-cyano-N-ethylacetamide;3,5-diethyl-2-methylidene-1,3-thiazolidine;2-(2,2-dimethylpropanoylamino)-4-(methylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide?

The InChIKey is MPRONSUAVDCJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2.C8H15NS.C5H8N2O.C2H2/c1-19(2,3)18(25)22-16-13-14(20-4)7-8-15(16)17(24)21-9-12-23-10-5-6-11-23;1-4-8-6-9(5-2)7(3)10-8;1-2-7-5(8)3-4-6;1-2/h7-8,13,20H,5-6,9-12H2,1-4H3,(H,21,24)(H,22,25);8H,3-6H2,1-2H3;2-3H2,1H3,(H,7,8);1-2H.

What are the key properties of acetylene;2-cyano-N-ethylacetamide;3,5-diethyl-2-methylidene-1,3-thiazolidine;2-(2,2-dimethylpropanoylamino)-4-(methylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide?

acetylene;2-cyano-N-ethylacetamide;3,5-diethyl-2-methylidene-1,3-thiazolidine;2-(2,2-dimethylpropanoylamino)-4-(methylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 641.93 g/mol, XLogP of 5.13, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;2-cyano-N-ethylacetamide;3,5-diethyl-2-methylidene-1,3-thiazolidine;2-(2,2-dimethylpropanoylamino)-4-(methylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 143042510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).