N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide

C21H28N2O2S — CID 46225391

IUPACN'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide
SMILESCc1ccc(S(=O)(=O)/N=C(/Cc2ccccc2)N(C(C)C)C(C)C)cc1
InChIInChI=1S/C21H28N2O2S/c1-16(2)23(17(3)4)21(15-19-9-7-6-8-10-19)22-26(24,25)20-13-11-18(5)12-14-20/h6-14,16-17H,15H2,1-5H3/b22-21-
InChIKeyHKYCOXJRVDKKFG-DQRAZIAOSA-N
MW372.53 g/mol
LogP4.44
Rot. Bonds6

About N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide

N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide (PubChem CID 46225391) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide
PubChem CID46225391
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide
SMILESCc1ccc(S(=O)(=O)/N=C(/Cc2ccccc2)N(C(C)C)C(C)C)cc1
InChIInChI=1S/C21H28N2O2S/c1-16(2)23(17(3)4)21(15-19-9-7-6-8-10-19)22-26(24,25)20-13-11-18(5)12-14-20/h6-14,16-17H,15H2,1-5H3/b22-21-
InChIKeyHKYCOXJRVDKKFG-DQRAZIAOSA-N
XLogP4.44
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide
CID 134847359
N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide
CID 75168284
2-(6-methoxynaphthalen-2-yl)-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide
CID 177420314
5-chloro-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)pentanimidamide
CID 46225390
4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide
CID 136791307
(NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide
CID 137288067
4-methyl-N-[(2S)-4-phenylbutan-2-yl]iminobenzenesulfonamide
CID 10935998
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
CID 178184329
4-methylbenzenesulfonic acid;N'-(4-methylphenyl)-2-phenylethanimidamide
CID 158193362
1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine
CID 67176300
4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide
CID 11301998
methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5408818

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide?
The IUPAC name of N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide (CID 46225391) is N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide.
What is the SMILES notation for N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide?
The canonical SMILES for N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide is Cc1ccc(S(=O)(=O)/N=C(/Cc2ccccc2)N(C(C)C)C(C)C)cc1.
What is the InChIKey of N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide?
The InChIKey is HKYCOXJRVDKKFG-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-16(2)23(17(3)4)21(15-19-9-7-6-8-10-19)22-26(24,25)20-13-11-18(5)12-14-20/h6-14,16-17H,15H2,1-5H3/b22-21-.
What are the key properties of N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide?
N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide has a molecular weight of 372.53 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide is sourced from PubChem (CID 46225391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).