N-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide

C14H20N2O2S — CID 17177805

IUPACN-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide
SMILESCC(O)CNC(=S)NC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H20N2O2S/c1-9(2)11-4-6-12(7-5-11)13(18)16-14(19)15-8-10(3)17/h4-7,9-10,17H,8H2,1-3H3,(H2,15,16,18,19)
InChIKeyAOMGGESNSGLTNB-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.80
Rot. Bonds4

About N-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide

N-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide (PubChem CID 17177805) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide
PubChem CID17177805
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide
SMILESCC(O)CNC(=S)NC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H20N2O2S/c1-9(2)11-4-6-12(7-5-11)13(18)16-14(19)15-8-10(3)17/h4-7,9-10,17H,8H2,1-3H3,(H2,15,16,18,19)
InChIKeyAOMGGESNSGLTNB-UHFFFAOYSA-N
XLogP1.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide
CID 17161946
N-[(4-methoxyphenyl)methylcarbamothioyl]-4-propan-2-ylbenzamide
CID 17230602
4-tert-butyl-N-(2-methylpropylcarbamothioyl)benzamide
CID 18823141
N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide
CID 17177592
2-[4-[(4-propan-2-ylbenzoyl)carbamothioylamino]phenyl]acetic acid
CID 28686958
2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide
CID 17161957
N-[(4-aminophenyl)carbamothioyl]-4-propan-2-ylbenzamide;hydrochloride
CID 88531052
N-[[4-(butylcarbamoyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 17195442
N-(2-hydroxypropylcarbamothioyl)-3-(2-methylpropoxy)benzamide
CID 17161995
N-[[4-(diethylamino)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 1016533
N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide
CID 103770174
N-(2-hydroxypropylcarbamothioyl)-3-(3-methylbutoxy)benzamide
CID 17161969

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide (CID 17177805) is N-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide is CC(O)CNC(=S)NC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide?
The InChIKey is AOMGGESNSGLTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9(2)11-4-6-12(7-5-11)13(18)16-14(19)15-8-10(3)17/h4-7,9-10,17H,8H2,1-3H3,(H2,15,16,18,19).
What are the key properties of N-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide?
N-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide has a molecular weight of 280.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 17177805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).