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

C22H19N5O3S — CID 29367366

IUPACN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESO=C(NCc1ccco1)Nc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1
InChIInChI=1S/C22H19N5O3S/c28-20(19-14-24-22(31)27(19)17-5-2-1-3-6-17)25-15-8-10-16(11-9-15)26-21(29)23-13-18-7-4-12-30-18/h1-12,14H,13H2,(H,24,31)(H,25,28)(H2,23,26,29)
InChIKeyDVZALKARDXDXTL-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.70
Rot. Bonds6

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

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (PubChem CID 29367366) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
PubChem CID29367366
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESO=C(NCc1ccco1)Nc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1
InChIInChI=1S/C22H19N5O3S/c28-20(19-14-24-22(31)27(19)17-5-2-1-3-6-17)25-15-8-10-16(11-9-15)26-21(29)23-13-18-7-4-12-30-18/h1-12,14H,13H2,(H,24,31)(H,25,28)(H2,23,26,29)
InChIKeyDVZALKARDXDXTL-UHFFFAOYSA-N
XLogP4.70
TPSA104.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 18119049
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CID 35335039
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 122133981
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 35336042
5-cyclopropyl-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 34110514
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55794278
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea
CID 112981834
2-(4-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 35335065
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 35334881
N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide
CID 28638296
N-[[2-(methoxymethyl)phenyl]methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 32604397

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (CID 29367366) is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is O=C(NCc1ccco1)Nc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The InChIKey is DVZALKARDXDXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c28-20(19-14-24-22(31)27(19)17-5-2-1-3-6-17)25-15-8-10-16(11-9-15)26-21(29)23-13-18-7-4-12-30-18/h1-12,14H,13H2,(H,24,31)(H,25,28)(H2,23,26,29).
What are the key properties of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 4.70, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is sourced from PubChem (CID 29367366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).