N-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide

C14H20N2O2S — CID 43128232

IUPACN-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(OC(C)(C)C)C(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C14H20N2O2S/c1-9(18-14(2,3)4)13(17)16-11-8-6-5-7-10(11)12(15)19/h5-9H,1-4H3,(H2,15,19)(H,16,17)
InChIKeyNFEHSVAPBRRCEJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.46
Rot. Bonds4

About N-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide

N-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 43128232) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID43128232
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(OC(C)(C)C)C(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C14H20N2O2S/c1-9(18-14(2,3)4)13(17)16-11-8-6-5-7-10(11)12(15)19/h5-9H,1-4H3,(H2,15,19)(H,16,17)
InChIKeyNFEHSVAPBRRCEJ-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 43105337
2-butoxy-N-(2-carbamothioylphenyl)propanamide
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N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide
CID 43127345
N-(2-carbamothioylphenyl)-2-(2-methylpentoxy)propanamide
CID 103283846
[(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate
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2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide
CID 2216687
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 29002285
2-(2-bromopropanoylamino)benzamide
CID 14588064
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide
CID 61148588
2-(2-methoxypropanoylamino)-N-methylbenzamide
CID 47302363
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of N-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide (CID 43128232) is N-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide is CC(OC(C)(C)C)C(=O)Nc1ccccc1C(N)=S.
What is the InChIKey of N-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is NFEHSVAPBRRCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9(18-14(2,3)4)13(17)16-11-8-6-5-7-10(11)12(15)19/h5-9H,1-4H3,(H2,15,19)(H,16,17).
What are the key properties of N-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide?
N-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 280.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 43128232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).