N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide

C15H22N2O2S — CID 17161721

IUPACN-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide
SMILESCCC(C)Oc1cccc(NC(=S)NC(=O)C(C)C)c1
InChIInChI=1S/C15H22N2O2S/c1-5-11(4)19-13-8-6-7-12(9-13)16-15(20)17-14(18)10(2)3/h6-11H,5H2,1-4H3,(H2,16,17,18,20)
InChIKeyGWWVDESUQBWXAB-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.33
Rot. Bonds5

About N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide

N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide (PubChem CID 17161721) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide
PubChem CID17161721
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide
SMILESCCC(C)Oc1cccc(NC(=S)NC(=O)C(C)C)c1
InChIInChI=1S/C15H22N2O2S/c1-5-11(4)19-13-8-6-7-12(9-13)16-15(20)17-14(18)10(2)3/h6-11H,5H2,1-4H3,(H2,16,17,18,20)
InChIKeyGWWVDESUQBWXAB-UHFFFAOYSA-N
XLogP3.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.33
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-[(3-butan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17161719
N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782472
3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 17150032
4-butan-2-yloxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154943
1-(3-butan-2-yloxyphenyl)-3-(1-methoxypropan-2-yl)thiourea
CID 47514994
3-butan-2-yloxy-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17170066
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104
3-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-N-ethylbenzamide
CID 17231000
2-methyl-N-[[3-(propanoylamino)phenyl]carbamothioyl]propanamide
CID 17099676
(2R)-2-amino-N-(3-butan-2-yloxyphenyl)-3-methylbutanamide
CID 79013272
1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea
CID 47392478
N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-butan-2-yloxybenzamide
CID 17187764

Frequently Asked Questions

What is the IUPAC name of N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide?
The IUPAC name of N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide (CID 17161721) is N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide.
What is the SMILES notation for N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide?
The canonical SMILES for N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide is CCC(C)Oc1cccc(NC(=S)NC(=O)C(C)C)c1.
What is the InChIKey of N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide?
The InChIKey is GWWVDESUQBWXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-11(4)19-13-8-6-7-12(9-13)16-15(20)17-14(18)10(2)3/h6-11H,5H2,1-4H3,(H2,16,17,18,20).
What are the key properties of N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide?
N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide has a molecular weight of 294.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide is sourced from PubChem (CID 17161721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).