N-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide

C16H24N2O3S — CID 17162162

IUPACN-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide
SMILESCCC(CO)NC(=S)NC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C16H24N2O3S/c1-4-13(9-19)17-16(22)18-15(20)12-5-7-14(8-6-12)21-10-11(2)3/h5-8,11,13,19H,4,9-10H2,1-3H3,(H2,17,18,20,22)
InChIKeyVYSLUANWVFWOST-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.10
Rot. Bonds7

About N-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide

N-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide (PubChem CID 17162162) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide
PubChem CID17162162
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide
SMILESCCC(CO)NC(=S)NC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C16H24N2O3S/c1-4-13(9-19)17-16(22)18-15(20)12-5-7-14(8-6-12)21-10-11(2)3/h5-8,11,13,19H,4,9-10H2,1-3H3,(H2,17,18,20,22)
InChIKeyVYSLUANWVFWOST-UHFFFAOYSA-N
XLogP2.10
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxybutan-2-ylcarbamothioyl)-4-propan-2-yloxybenzamide
CID 17162169
4-heptoxy-N-(1-hydroxybutan-2-ylcarbamothioyl)benzamide
CID 17162168
3-bromo-N-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide
CID 17162185
4-chloro-N-(1-hydroxybutan-2-ylcarbamothioyl)benzamide
CID 17162132
N-(3-methoxypropylcarbamothioyl)-4-(2-methylpropoxy)benzamide
CID 17140196
N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
CID 41370977
N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide
CID 4937464
N-(butan-2-ylcarbamothioyl)-4-(3-methylbutoxy)benzamide
CID 17137482
N-butan-2-yl-2-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide
CID 17151378
N-(1-hydroxybutan-2-ylcarbamothioyl)-3-propoxybenzamide
CID 17162178
N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937627
N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17114635

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide (CID 17162162) is N-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide is CCC(CO)NC(=S)NC(=O)c1ccc(OCC(C)C)cc1.
What is the InChIKey of N-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide?
The InChIKey is VYSLUANWVFWOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-4-13(9-19)17-16(22)18-15(20)12-5-7-14(8-6-12)21-10-11(2)3/h5-8,11,13,19H,4,9-10H2,1-3H3,(H2,17,18,20,22).
What are the key properties of N-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide?
N-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide has a molecular weight of 324.45 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17162162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).