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

C19H20N4O5S — CID 19584978

IUPACN-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H20N4O5S/c1-3-27-13-8-6-12(7-9-13)20-16(24)11-14-18(26)22(2)19(29)23(14)21-17(25)15-5-4-10-28-15/h4-10,14H,3,11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyNHDSWMMPPLMZPG-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.78
Rot. Bonds7

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

N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide (PubChem CID 19584978) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide
PubChem CID19584978
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC NameN-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H20N4O5S/c1-3-27-13-8-6-12(7-9-13)20-16(24)11-14-18(26)22(2)19(29)23(14)21-17(25)15-5-4-10-28-15/h4-10,14H,3,11H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyNHDSWMMPPLMZPG-UHFFFAOYSA-N
XLogP1.78
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide
CID 19585027
N-[3-methyl-5-[2-(3-methylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide
CID 3494179
N-[5-[2-(3-ethoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 4195389
N-[3-methyl-4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl]pyridine-2-carboxamide
CID 19584967
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]hexanamide
CID 5146307
N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 19630614
methyl 4-[[2-[3-[(4-chlorobenzoyl)amino]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 3263367
N-[(5R)-3-ethyl-4-oxo-5-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 26801968
N-(4-ethoxyphenyl)-2-[(4R)-5-oxo-1-phenyl-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 41222162
5-bromo-N-[5-[2-(3-ethoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide
CID 3305863
N-[5-[2-(4-chloroanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclopropanecarboxamide
CID 19584823

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide (CID 19584978) is N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide is CCOc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide?
The InChIKey is NHDSWMMPPLMZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-3-27-13-8-6-12(7-9-13)20-16(24)11-14-18(26)22(2)19(29)23(14)21-17(25)15-5-4-10-28-15/h4-10,14H,3,11H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide?
N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]furan-2-carboxamide is sourced from PubChem (CID 19584978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).