N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

C17H16N4O3S — CID 18119049

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESO=C(CNC(=O)c1c[nH]c(=S)n1-c1ccccc1)NCc1ccco1
InChIInChI=1S/C17H16N4O3S/c22-15(18-9-13-7-4-8-24-13)11-19-16(23)14-10-20-17(25)21(14)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,22)(H,19,23)(H,20,25)
InChIKeyXDLPPJRHFSGCFT-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.17
Rot. Bonds6

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (PubChem CID 18119049) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
PubChem CID18119049
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESO=C(CNC(=O)c1c[nH]c(=S)n1-c1ccccc1)NCc1ccco1
InChIInChI=1S/C17H16N4O3S/c22-15(18-9-13-7-4-8-24-13)11-19-16(23)14-10-20-17(25)21(14)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,22)(H,19,23)(H,20,25)
InChIKeyXDLPPJRHFSGCFT-UHFFFAOYSA-N
XLogP2.17
TPSA92.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide 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

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 29367366
4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 18150991
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 27781619
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 31638385
2-anilino-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 29238758
N-[[2-(methoxymethyl)phenyl]methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 32604397
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-naphthalen-2-ylacetamide
CID 17446251
N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 32988332
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
N-[(2R,3R)-2-hydroxy-3-methylpentyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 99701118
2-(2-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 24550973

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (CID 18119049) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is O=C(CNC(=O)c1c[nH]c(=S)n1-c1ccccc1)NCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The InChIKey is XDLPPJRHFSGCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c22-15(18-9-13-7-4-8-24-13)11-19-16(23)14-10-20-17(25)21(14)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,22)(H,19,23)(H,20,25).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is sourced from PubChem (CID 18119049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).