3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide

C24H32N2O2S — CID 22776030

IUPAC3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
SMILESCC(Sc1ccc(NC(=O)CC(C)(C)C)cc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C24H32N2O2S/c1-16(2)18-7-9-20(10-8-18)26-23(28)17(3)29-21-13-11-19(12-14-21)25-22(27)15-24(4,5)6/h7-14,16-17H,15H2,1-6H3,(H,25,27)(H,26,28)
InChIKeyAZLSUMLIIKNGFI-UHFFFAOYSA-N
MW412.60 g/mol
LogP6.30
Rot. Bonds7

About 3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide

3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide (PubChem CID 22776030) has the molecular formula C24H32N2O2S and a molecular weight of 412.60 g/mol. Its IUPAC name is 3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
PubChem CID22776030
Molecular FormulaC24H32N2O2S
Molecular Weight412.60 g/mol
Exact Mass412.22
IUPAC Name3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
SMILESCC(Sc1ccc(NC(=O)CC(C)(C)C)cc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C24H32N2O2S/c1-16(2)18-7-9-20(10-8-18)26-23(28)17(3)29-21-13-11-19(12-14-21)25-22(27)15-24(4,5)6/h7-14,16-17H,15H2,1-6H3,(H,25,27)(H,26,28)
InChIKeyAZLSUMLIIKNGFI-UHFFFAOYSA-N
XLogP6.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.60
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide with MolForge

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Related Compounds

N-[4-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19631000
N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
CID 19629770
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 19712403
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 22782289
N-[4-[1-(5-chloro-2,4-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 23096005
N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 112759140
N-[4-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 23098781
3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 26907229
3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide
CID 64683934
N-[3-[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 18907275
N-[4-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 23097974
ethyl 4-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoylamino]benzoate
CID 18907297

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide (CID 22776030) is 3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide is CC(Sc1ccc(NC(=O)CC(C)(C)C)cc1)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide?
The InChIKey is AZLSUMLIIKNGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2S/c1-16(2)18-7-9-20(10-8-18)26-23(28)17(3)29-21-13-11-19(12-14-21)25-22(27)15-24(4,5)6/h7-14,16-17H,15H2,1-6H3,(H,25,27)(H,26,28).
What are the key properties of 3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide?
3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide has a molecular weight of 412.60 g/mol, XLogP of 6.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide is sourced from PubChem (CID 22776030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).