(2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide

C16H26N2O3S — CID 40603483

IUPAC(2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N([C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1C
InChIInChI=1S/C16H26N2O3S/c1-11-8-9-14(10-12(11)2)18(22(7,20)21)13(3)15(19)17-16(4,5)6/h8-10,13H,1-7H3,(H,17,19)/t13-/m1/s1
InChIKeySNDBSGBMAUWKMC-CYBMUJFWSA-N
MW326.46 g/mol
LogP2.37
Rot. Bonds4

About (2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide

(2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 40603483) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
PubChem CID40603483
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name(2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N([C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1C
InChIInChI=1S/C16H26N2O3S/c1-11-8-9-14(10-12(11)2)18(22(7,20)21)13(3)15(19)17-16(4,5)6/h8-10,13H,1-7H3,(H,17,19)/t13-/m1/s1
InChIKeySNDBSGBMAUWKMC-CYBMUJFWSA-N
XLogP2.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 961865
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248592
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 126387463
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 126388586
2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 5227443
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide
CID 7370160
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2S)-pentan-2-yl]propanamide
CID 7370158
N-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 2964493
(2S)-N-(4-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 1294176
N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 2969148
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 126413893
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126413955

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide (CID 40603483) is (2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N([C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1C.
What is the InChIKey of (2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is SNDBSGBMAUWKMC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-11-8-9-14(10-12(11)2)18(22(7,20)21)13(3)15(19)17-16(4,5)6/h8-10,13H,1-7H3,(H,17,19)/t13-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
(2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 326.46 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 40603483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).