N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide

C24H32N2O2S — CID 54782472

IUPACN-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCC(C)Oc1cccc(NC(=S)NC(=O)C(C)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C24H32N2O2S/c1-6-17(4)28-22-9-7-8-21(15-22)25-24(29)26-23(27)18(5)20-12-10-19(11-13-20)14-16(2)3/h7-13,15-18H,6,14H2,1-5H3,(H2,25,26,27,29)
InChIKeyXPKFNSRTUUZQOJ-UHFFFAOYSA-N
MW412.60 g/mol
LogP5.68
Rot. Bonds8

About N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide

N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 54782472) has the molecular formula C24H32N2O2S and a molecular weight of 412.60 g/mol. Its IUPAC name is N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID54782472
Molecular FormulaC24H32N2O2S
Molecular Weight412.60 g/mol
Exact Mass412.22
IUPAC NameN-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCC(C)Oc1cccc(NC(=S)NC(=O)C(C)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C24H32N2O2S/c1-6-17(4)28-22-9-7-8-21(15-22)25-24(29)26-23(27)18(5)20-12-10-19(11-13-20)14-16(2)3/h7-13,15-18H,6,14H2,1-5H3,(H2,25,26,27,29)
InChIKeyXPKFNSRTUUZQOJ-UHFFFAOYSA-N
XLogP5.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.60
LogP ≤ 55.68
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-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782363
2-[4-(2-methylpropyl)phenyl]-N-[[3-(propanoylamino)phenyl]carbamothioyl]propanamide
CID 54782396
N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide
CID 17161721
N-[(3-butan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17161719
2-[4-(2-methylpropyl)phenyl]-N-[(3-nitrophenyl)carbamothioyl]propanamide
CID 54782574
N-(3-methylphenyl)-3-[2-[4-(2-methylpropyl)phenyl]propanoylcarbamothioylamino]benzamide
CID 54782752
N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54781971
N-benzyl-N-methyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylcarbamothioylamino]benzamide
CID 54782745
N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782467
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

Frequently Asked Questions

What is the IUPAC name of N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 54782472) is N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CCC(C)Oc1cccc(NC(=S)NC(=O)C(C)c2ccc(CC(C)C)cc2)c1.
What is the InChIKey of N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is XPKFNSRTUUZQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2S/c1-6-17(4)28-22-9-7-8-21(15-22)25-24(29)26-23(27)18(5)20-12-10-19(11-13-20)14-16(2)3/h7-13,15-18H,6,14H2,1-5H3,(H2,25,26,27,29).
What are the key properties of N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 412.60 g/mol, XLogP of 5.68, 8 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-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 54782472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).