N-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide

C23H22N2OS — CID 69078981

IUPACN-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide
SMILESCc1ccc(S(=O)N[C@@H](C)C(C#N)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N2OS/c1-18-13-15-22(16-14-18)27(26)25-19(2)23(17-24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,19,25H,1-2H3/t19-,27?/m0/s1
InChIKeyDXNXAKNBVNXFEW-JDEXWRGDSA-N
MW374.51 g/mol
LogP4.51
Rot. Bonds6

About N-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide

N-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide (PubChem CID 69078981) has the molecular formula C23H22N2OS and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide.

Molecular Properties

Compound NameN-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide
PubChem CID69078981
Molecular FormulaC23H22N2OS
Molecular Weight374.51 g/mol
Exact Mass374.15
IUPAC NameN-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide
SMILESCc1ccc(S(=O)N[C@@H](C)C(C#N)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N2OS/c1-18-13-15-22(16-14-18)27(26)25-19(2)23(17-24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,19,25H,1-2H3/t19-,27?/m0/s1
InChIKeyDXNXAKNBVNXFEW-JDEXWRGDSA-N
XLogP4.51
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide?
The IUPAC name of N-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide (CID 69078981) is N-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide.
What is the SMILES notation for N-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide?
The canonical SMILES for N-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide is Cc1ccc(S(=O)N[C@@H](C)C(C#N)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide?
The InChIKey is DXNXAKNBVNXFEW-JDEXWRGDSA-N. The full InChI is InChI=1S/C23H22N2OS/c1-18-13-15-22(16-14-18)27(26)25-19(2)23(17-24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,19,25H,1-2H3/t19-,27?/m0/s1.
What are the key properties of N-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide?
N-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide has a molecular weight of 374.51 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide is sourced from PubChem (CID 69078981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).