N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide

C19H23NOS — CID 112820701

IUPACN-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H23NOS/c1-19(2,3)17(14-10-6-5-7-11-14)20-18(21)15-12-8-9-13-16(15)22-4/h5-13,17H,1-4H3,(H,20,21)
InChIKeyBLHYDPRUFJATQD-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.93
Rot. Bonds4

About N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide

N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide (PubChem CID 112820701) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide
PubChem CID112820701
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC NameN-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H23NOS/c1-19(2,3)17(14-10-6-5-7-11-14)20-18(21)15-12-8-9-13-16(15)22-4/h5-13,17H,1-4H3,(H,20,21)
InChIKeyBLHYDPRUFJATQD-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide
CID 51940796
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
N-tert-butyl-2-methylsulfanylbenzamide
CID 967733
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide
CID 79252526
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide
CID 11537937
N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide
CID 104873008
N-(1-iodo-3-methylbutan-2-yl)-2-methylsulfanylbenzamide
CID 107860038
N-(1-chloropropan-2-yl)-2-methylsulfanylbenzamide
CID 114299364
(2S)-4-hydroxy-2-[(2-methylsulfanylbenzoyl)amino]butanoic acid
CID 114004889
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylsulfanylbenzamide
CID 79206171
(2R)-2-[(2-methylsulfanylbenzoyl)amino]pentanoic acid
CID 107563529
N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide
CID 79217268

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide (CID 112820701) is N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NC(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide?
The InChIKey is BLHYDPRUFJATQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-19(2,3)17(14-10-6-5-7-11-14)20-18(21)15-12-8-9-13-16(15)22-4/h5-13,17H,1-4H3,(H,20,21).
What are the key properties of N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide?
N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide has a molecular weight of 313.47 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 112820701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).