N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide

C19H17N3O4S — CID 4885570

IUPACN-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccco1
InChIInChI=1S/C19H17N3O4S/c1-12(26-15-9-8-13-5-2-3-6-14(13)11-15)17(23)21-22-19(27)20-18(24)16-7-4-10-25-16/h2-12H,1H3,(H,21,23)(H2,20,22,24,27)
InChIKeyQKKQANBQYRPLBU-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.54
Rot. Bonds4

About N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide

N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide (PubChem CID 4885570) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide
PubChem CID4885570
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccco1
InChIInChI=1S/C19H17N3O4S/c1-12(26-15-9-8-13-5-2-3-6-14(13)11-15)17(23)21-22-19(27)20-18(24)16-7-4-10-25-16/h2-12H,1H3,(H,21,23)(H2,20,22,24,27)
InChIKeyQKKQANBQYRPLBU-UHFFFAOYSA-N
XLogP2.54
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]acetamide
CID 8757694
N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]-2-phenylacetamide
CID 4940325
4-methoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide
CID 4940315
N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]-3,5-dinitrobenzamide
CID 4940286
N'-(2-phenoxypropanoyl)furan-2-carbohydrazide
CID 3693666
N-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide
CID 8757699
3-ethoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide
CID 4957856
4-(3-methylbutoxy)-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide
CID 4949643
3-bromo-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17356143
methyl 4-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylamino]-4-oxobutanoate
CID 4940373
2-methoxyethyl 4-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylamino]-4-oxobutanoate
CID 17339019
3-(3-methylbutoxy)-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide
CID 4982176

Frequently Asked Questions

What is the IUPAC name of N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide (CID 4885570) is N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide is CC(Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccco1.
What is the InChIKey of N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide?
The InChIKey is QKKQANBQYRPLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-12(26-15-9-8-13-5-2-3-6-14(13)11-15)17(23)21-22-19(27)20-18(24)16-7-4-10-25-16/h2-12H,1H3,(H,21,23)(H2,20,22,24,27).
What are the key properties of N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide?
N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 4885570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).