N-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-triphenylacetamide

C32H33NOS2 — CID 102447743

IUPACN-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-triphenylacetamide
SMILESCC(C)Sc1cccc(NC(=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1SC(C)C
InChIInChI=1S/C32H33NOS2/c1-23(2)35-29-22-14-21-28(30(29)36-24(3)4)33-31(34)32(25-15-8-5-9-16-25,26-17-10-6-11-18-26)27-19-12-7-13-20-27/h5-24H,1-4H3,(H,33,34)
InChIKeyOHCYEHUKMVQJAO-UHFFFAOYSA-N
MW511.76 g/mol
LogP8.66
Rot. Bonds9

About N-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-triphenylacetamide

N-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-triphenylacetamide (PubChem CID 102447743) has the molecular formula C32H33NOS2 and a molecular weight of 511.76 g/mol. Its IUPAC name is N-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-triphenylacetamide.

Molecular Properties

Compound NameN-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-triphenylacetamide
PubChem CID102447743
Molecular FormulaC32H33NOS2
Molecular Weight511.76 g/mol
Exact Mass511.20
IUPAC NameN-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-triphenylacetamide
SMILESCC(C)Sc1cccc(NC(=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1SC(C)C
InChIInChI=1S/C32H33NOS2/c1-23(2)35-29-22-14-21-28(30(29)36-24(3)4)33-31(34)32(25-15-8-5-9-16-25,26-17-10-6-11-18-26)27-19-12-7-13-20-27/h5-24H,1-4H3,(H,33,34)
InChIKeyOHCYEHUKMVQJAO-UHFFFAOYSA-N
XLogP8.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.76
LogP ≤ 58.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-trifluoroacetamide
CID 102447741
2-(2,2-dimethylpropanoylamino)-6-propan-2-ylsulfanylbenzoic acid
CID 134095661
N-(2-methoxyphenyl)-2,2,2-triphenylacetamide
CID 11188554
2-(2-propan-2-ylsulfanylphenyl)acetic acid
CID 12533893
3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide
CID 119331778
2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride
CID 119797995
3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride
CID 120501372
N-methoxy-2,2,2-triphenylacetamide
CID 175153772
1-(4-phenylphenyl)-2,3-bis(propan-2-ylsulfanyl)benzene
CID 101475089
(2S)-2-[2-(2,2-dimethylbutanoylamino)phenyl]sulfanylbutanoic acid
CID 40803038
2,2-difluoro-2-(3-propan-2-ylsulfanylphenyl)acetic acid
CID 105425708
2-methyl-2-(2-propan-2-ylanilino)propanoic acid
CID 114988779

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-triphenylacetamide?
The IUPAC name of N-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-triphenylacetamide (CID 102447743) is N-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-triphenylacetamide.
What is the SMILES notation for N-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-triphenylacetamide?
The canonical SMILES for N-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-triphenylacetamide is CC(C)Sc1cccc(NC(=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1SC(C)C.
What is the InChIKey of N-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-triphenylacetamide?
The InChIKey is OHCYEHUKMVQJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NOS2/c1-23(2)35-29-22-14-21-28(30(29)36-24(3)4)33-31(34)32(25-15-8-5-9-16-25,26-17-10-6-11-18-26)27-19-12-7-13-20-27/h5-24H,1-4H3,(H,33,34).
What are the key properties of N-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-triphenylacetamide?
N-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-triphenylacetamide has a molecular weight of 511.76 g/mol, XLogP of 8.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-triphenylacetamide is sourced from PubChem (CID 102447743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).