3-(furan-2-yl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide

C18H19N3O4S — CID 4931796

IUPAC3-(furan-2-yl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide
SMILESCCCOc1ccccc1C(=O)NNC(=S)NC(=O)C=Cc1ccco1
InChIInChI=1S/C18H19N3O4S/c1-2-11-25-15-8-4-3-7-14(15)17(23)20-21-18(26)19-16(22)10-9-13-6-5-12-24-13/h3-10,12H,2,11H2,1H3,(H,20,23)(H2,19,21,22,26)
InChIKeyAVPWMWHCGMFRMC-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.42
Rot. Bonds6

About 3-(furan-2-yl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide

3-(furan-2-yl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide (PubChem CID 4931796) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide
PubChem CID4931796
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name3-(furan-2-yl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide
SMILESCCCOc1ccccc1C(=O)NNC(=S)NC(=O)C=Cc1ccco1
InChIInChI=1S/C18H19N3O4S/c1-2-11-25-15-8-4-3-7-14(15)17(23)20-21-18(26)19-16(22)10-9-13-6-5-12-24-13/h3-10,12H,2,11H2,1H3,(H,20,23)(H2,19,21,22,26)
InChIKeyAVPWMWHCGMFRMC-UHFFFAOYSA-N
XLogP2.42
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chlorophenyl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 6233848
methyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]carbamate
CID 6134787
2-chloro-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide
CID 4931749
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
(E)-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 6134681
3-(furan-2-yl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide
CID 3519372
(E)-3-(furan-2-yl)-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]prop-2-enamide
CID 6233572
N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 4510593
N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide
CID 6233838
(E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide
CID 6134574
(E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 6214482
N-[[(3-chlorobenzoyl)amino]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 4510328

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide (CID 4931796) is 3-(furan-2-yl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide is CCCOc1ccccc1C(=O)NNC(=S)NC(=O)C=Cc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide?
The InChIKey is AVPWMWHCGMFRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-2-11-25-15-8-4-3-7-14(15)17(23)20-21-18(26)19-16(22)10-9-13-6-5-12-24-13/h3-10,12H,2,11H2,1H3,(H,20,23)(H2,19,21,22,26).
What are the key properties of 3-(furan-2-yl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide?
3-(furan-2-yl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide has a molecular weight of 373.43 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide is sourced from PubChem (CID 4931796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).