2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide

C14H20N2O2S — CID 114292137

IUPAC2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide
SMILESCCC(C)(C(=O)N(Cc1ccco1)C1CC1)C(N)=S
InChIInChI=1S/C14H20N2O2S/c1-3-14(2,12(15)19)13(17)16(10-6-7-10)9-11-5-4-8-18-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H2,15,19)
InChIKeyOQPROWNBSFSCAS-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.47
Rot. Bonds6

About 2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide

2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide (PubChem CID 114292137) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide
PubChem CID114292137
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide
SMILESCCC(C)(C(=O)N(Cc1ccco1)C1CC1)C(N)=S
InChIInChI=1S/C14H20N2O2S/c1-3-14(2,12(15)19)13(17)16(10-6-7-10)9-11-5-4-8-18-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H2,15,19)
InChIKeyOQPROWNBSFSCAS-UHFFFAOYSA-N
XLogP2.47
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 79805488
N-(furan-2-ylmethyl)-2,2-dimethyl-N-(oxan-4-yl)propanamide
CID 121131278
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methoxy-2-methylpropanamide
CID 103028787
N-(2-amino-2-sulfanylideneethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)oxamide
CID 55003593
3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 64700693
3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide
CID 81087169
3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide
CID 79630506
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
(2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103927859
N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide
CID 107026655
4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782822
N-cyclopropyl-N-(furan-2-ylmethyl)-4-hydroxybutanamide
CID 79200570

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide?
The IUPAC name of 2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide (CID 114292137) is 2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide is CCC(C)(C(=O)N(Cc1ccco1)C1CC1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide?
The InChIKey is OQPROWNBSFSCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-14(2,12(15)19)13(17)16(10-6-7-10)9-11-5-4-8-18-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H2,15,19).
What are the key properties of 2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide?
2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide has a molecular weight of 280.39 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide is sourced from PubChem (CID 114292137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).