N-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide

C19H22N2O2S — CID 4952165

IUPACN-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide
SMILESCCN(C(=S)NC(=O)c1ccc(OC(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-4-21(16-8-6-5-7-9-16)19(24)20-18(22)15-10-12-17(13-11-15)23-14(2)3/h5-14H,4H2,1-3H3,(H,20,22,24)
InChIKeyDPQYPQIYPKBVBP-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.01
Rot. Bonds5

About N-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide

N-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide (PubChem CID 4952165) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide
PubChem CID4952165
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide
SMILESCCN(C(=S)NC(=O)c1ccc(OC(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-4-21(16-8-6-5-7-9-16)19(24)20-18(22)15-10-12-17(13-11-15)23-14(2)3/h5-14H,4H2,1-3H3,(H,20,22,24)
InChIKeyDPQYPQIYPKBVBP-UHFFFAOYSA-N
XLogP4.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.01
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

N-(diethylcarbamothioyl)-4-propan-2-yloxybenzamide
CID 4952195
4-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-N-ethyl-N-phenylbenzamide
CID 17229977
4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
CID 17229697
4-(difluoromethoxy)-N-ethyl-N-phenylbenzamide
CID 78793978
N-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide
CID 4950338
N-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide
CID 3320156
N-[benzyl(phenyl)carbamothioyl]benzamide
CID 44825170
4-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 8608037
2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid
CID 1327370
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide
CID 113061087
N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
CID 28632520
N-[(butanoylamino)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17340176

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide (CID 4952165) is N-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide is CCN(C(=S)NC(=O)c1ccc(OC(C)C)cc1)c1ccccc1.
What is the InChIKey of N-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
The InChIKey is DPQYPQIYPKBVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-4-21(16-8-6-5-7-9-16)19(24)20-18(22)15-10-12-17(13-11-15)23-14(2)3/h5-14H,4H2,1-3H3,(H,20,22,24).
What are the key properties of N-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
N-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide has a molecular weight of 342.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 4952165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).