N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide

C16H17N3O4S — CID 17086908

IUPACN-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1C(=O)NCCCO)c1ccco1
InChIInChI=1S/C16H17N3O4S/c20-9-4-8-17-14(21)11-5-1-2-6-12(11)18-16(24)19-15(22)13-7-3-10-23-13/h1-3,5-7,10,20H,4,8-9H2,(H,17,21)(H2,18,19,22,24)
InChIKeyZKIYRSQTAUXPSO-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.52
Rot. Bonds6

About N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide

N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide (PubChem CID 17086908) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide
PubChem CID17086908
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1C(=O)NCCCO)c1ccco1
InChIInChI=1S/C16H17N3O4S/c20-9-4-8-17-14(21)11-5-1-2-6-12(11)18-16(24)19-15(22)13-7-3-10-23-13/h1-3,5-7,10,20H,4,8-9H2,(H,17,21)(H2,18,19,22,24)
InChIKeyZKIYRSQTAUXPSO-UHFFFAOYSA-N
XLogP1.52
TPSA103.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide
CID 801553
N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide
CID 1125144
N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methylbenzamide
CID 17086926
N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 17311579
N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 7258640
2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide
CID 17351252
N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
CID 1226907
N-(dodecylcarbamothioyl)furan-2-carboxamide
CID 10958704
5-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17086991
3-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17086990
N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 4939517
N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide
CID 952249

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide (CID 17086908) is N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide is O=C(NC(=S)Nc1ccccc1C(=O)NCCCO)c1ccco1.
What is the InChIKey of N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide?
The InChIKey is ZKIYRSQTAUXPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c20-9-4-8-17-14(21)11-5-1-2-6-12(11)18-16(24)19-15(22)13-7-3-10-23-13/h1-3,5-7,10,20H,4,8-9H2,(H,17,21)(H2,18,19,22,24).
What are the key properties of N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide?
N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 1.52, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 17086908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).