N-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide

C20H27NOS — CID 101420817

IUPACN-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27NOS/c1-20(2,3)23(22)21-19(16-18-12-8-5-9-13-18)15-14-17-10-6-4-7-11-17/h4-13,19,21H,14-16H2,1-3H3
InChIKeyRPSMIANJBYBNGT-UHFFFAOYSA-N
MW329.51 g/mol
LogP4.28
Rot. Bonds7

About N-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide

N-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide (PubChem CID 101420817) has the molecular formula C20H27NOS and a molecular weight of 329.51 g/mol. Its IUPAC name is N-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide
PubChem CID101420817
Molecular FormulaC20H27NOS
Molecular Weight329.51 g/mol
Exact Mass329.18
IUPAC NameN-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27NOS/c1-20(2,3)23(22)21-19(16-18-12-8-5-9-13-18)15-14-17-10-6-4-7-11-17/h4-13,19,21H,14-16H2,1-3H3
InChIKeyRPSMIANJBYBNGT-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-N-[(3S)-4,4-dimethyl-1-phenylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 46946716
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide
CID 102140135
ethyl (4S)-4-[[(R)-tert-butylsulfinyl]amino]-2-methylidene-5-phenylpentanoate
CID 71573468
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-phenylpropanoate
CID 10756445
(4R)-4-(tert-butylsulfinylamino)-4-[hydroxy(2-phenylethyl)phosphoryl]butanoic acid
CID 166771339
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
N-[(3R)-5-(3-bromophenyl)-1-phenylpent-1-yn-3-yl]-2-methylpropane-2-sulfinamide
CID 102041187
(S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide
CID 139254954
N-[(1R)-1-[(1R,2R)-2-ethyl-6-oxocyclohexyl]-3-phenylpropyl]-2-methylpropane-2-sulfinamide
CID 101472152
N-[(2R)-1-(4-chlorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide
CID 126642010
N,5,5-trimethyl-1-phenylhexan-3-amine
CID 63889810

Frequently Asked Questions

What is the IUPAC name of N-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide (CID 101420817) is N-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide?
The InChIKey is RPSMIANJBYBNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NOS/c1-20(2,3)23(22)21-19(16-18-12-8-5-9-13-18)15-14-17-10-6-4-7-11-17/h4-13,19,21H,14-16H2,1-3H3.
What are the key properties of N-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide?
N-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide has a molecular weight of 329.51 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 101420817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).