N-[3-methyl-5-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide

C18H18N4O4S — CID 3494179

About N-[3-methyl-5-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide

N-[3-methyl-5-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide (PubChem CID 3494179) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[3-methyl-5-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-methyl-5-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide
• PubChem CID: 3494179
• Molecular Formula: C18H18N4O4S
• Molecular Weight: 386.43 g/mol
• Exact Mass: 386.10
• IUPAC Name: N-[3-methyl-5-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide
• SMILES: Cc1cccc(NC(=O)CC2C(=O)N(C)C(=S)N2NC(=O)c2ccco2)c1
• InChI: InChI=1S/C18H18N4O4S/c1-11-5-3-6-12(9-11)19-15(23)10-13-17(25)21(2)18(27)22(13)20-16(24)14-7-4-8-26-14/h3-9,13H,10H2,1-2H3,(H,19,23)(H,20,24)
• InChIKey: VEMBAMVNXGFYPK-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 94.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.43
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide?

The IUPAC name of N-[3-methyl-5-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide (CID 3494179) is N-[3-methyl-5-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide.

What is the SMILES notation for N-[3-methyl-5-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide?

The canonical SMILES for N-[3-methyl-5-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide is Cc1cccc(NC(=O)CC2C(=O)N(C)C(=S)N2NC(=O)c2ccco2)c1.

What is the InChIKey of N-[3-methyl-5-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide?

The InChIKey is VEMBAMVNXGFYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-11-5-3-6-12(9-11)19-15(23)10-13-17(25)21(2)18(27)22(13)20-16(24)14-7-4-8-26-14/h3-9,13H,10H2,1-2H3,(H,19,23)(H,20,24).

What are the key properties of N-[3-methyl-5-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide?

N-[3-methyl-5-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-5-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide is sourced from PubChem (CID 3494179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).