N-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide

C17H16Cl2N2O2S — CID 1339065

IUPACN-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2S/c1-10(2)23-13-6-3-11(4-7-13)16(22)21-17(24)20-15-8-5-12(18)9-14(15)19/h3-10H,1-2H3,(H2,20,21,22,24)
InChIKeyWTRZHLXIUQRAGJ-UHFFFAOYSA-N
MW383.30 g/mol
LogP4.91
Rot. Bonds4

About N-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide

N-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide (PubChem CID 1339065) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide
PubChem CID1339065
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC NameN-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2S/c1-10(2)23-13-6-3-11(4-7-13)16(22)21-17(24)20-15-8-5-12(18)9-14(15)19/h3-10H,1-2H3,(H2,20,21,22,24)
InChIKeyWTRZHLXIUQRAGJ-UHFFFAOYSA-N
XLogP4.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 54.91
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

N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 3525131
N-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide
CID 823889
4-bromo-N-[(2,4-dichlorophenyl)carbamothioyl]benzamide
CID 4673863
4-butan-2-yloxy-N-[(2,5-dichlorophenyl)carbamothioyl]benzamide
CID 17141586
N-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 23741480
3,5-dichloro-4-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid
CID 50849870
4-propan-2-yloxy-N-[(2,4,6-trichloroanilino)carbamothioyl]benzamide
CID 21231494
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 3956837
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 7325857
3-bromo-N-[(2,4-dichlorophenyl)carbamothioyl]-4-methoxybenzamide
CID 2281585
N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142726
2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid
CID 1327370

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide (CID 1339065) is N-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
The InChIKey is WTRZHLXIUQRAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c1-10(2)23-13-6-3-11(4-7-13)16(22)21-17(24)20-15-8-5-12(18)9-14(15)19/h3-10H,1-2H3,(H2,20,21,22,24).
What are the key properties of N-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide?
N-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide has a molecular weight of 383.30 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 1339065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).