N-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide

C14H20N2O4S — CID 17161980

IUPACN-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccccc1C(=O)NC(=S)NCC(C)O
InChIInChI=1S/C14H20N2O4S/c1-10(17)9-15-14(21)16-13(18)11-5-3-4-6-12(11)20-8-7-19-2/h3-6,10,17H,7-9H2,1-2H3,(H2,15,16,18,21)
InChIKeyQEHVOARLGBPVMF-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.70
Rot. Bonds7

About N-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide

N-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide (PubChem CID 17161980) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide
PubChem CID17161980
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccccc1C(=O)NC(=S)NCC(C)O
InChIInChI=1S/C14H20N2O4S/c1-10(17)9-15-14(21)16-13(18)11-5-3-4-6-12(11)20-8-7-19-2/h3-6,10,17H,7-9H2,1-2H3,(H2,15,16,18,21)
InChIKeyQEHVOARLGBPVMF-UHFFFAOYSA-N
XLogP0.70
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide
CID 17161957
2-(2-methoxyethoxy)-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide
CID 17194322
N-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide
CID 17045861
5-bromo-N-(2-hydroxypropylcarbamothioyl)-2-propoxybenzamide
CID 17161975
N-[(4-bromophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355891
N-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355885
N-(2-hydroxypropylcarbamothioyl)-2-nitrobenzamide
CID 17161921
2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 17356241
N-[[4-(dimethylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17231564
2-(2-methoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 17355950
N-(benzylcarbamothioyl)-2-(2-phenoxyethoxy)benzamide
CID 4954593
N-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355875

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide?
The IUPAC name of N-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide (CID 17161980) is N-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide is COCCOc1ccccc1C(=O)NC(=S)NCC(C)O.
What is the InChIKey of N-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide?
The InChIKey is QEHVOARLGBPVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10(17)9-15-14(21)16-13(18)11-5-3-4-6-12(11)20-8-7-19-2/h3-6,10,17H,7-9H2,1-2H3,(H2,15,16,18,21).
What are the key properties of N-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide?
N-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide has a molecular weight of 312.39 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17161980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).