N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide

C20H26N2O3S — CID 133162015

IUPACN-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)NC(C)(C)Cc1ccccc1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-16(22(26(4,24)25)18-13-9-6-10-14-18)19(23)21-20(2,3)15-17-11-7-5-8-12-17/h5-14,16H,15H2,1-4H3,(H,21,23)
InChIKeyHPAPVFUEXOFWCI-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.98
Rot. Bonds7

About N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide

N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide (PubChem CID 133162015) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide
PubChem CID133162015
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)NC(C)(C)Cc1ccccc1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-16(22(26(4,24)25)18-13-9-6-10-14-18)19(23)21-20(2,3)15-17-11-7-5-8-12-17/h5-14,16H,15H2,1-4H3,(H,21,23)
InChIKeyHPAPVFUEXOFWCI-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 125064613
(2S)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 100517542
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 133160344
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 133187707
(2R)-2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 125057990
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 125058029
(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide
CID 807275
(2S)-N-(2-tert-butylsulfanylethyl)-2-(N-methylsulfonylanilino)propanamide
CID 7303925
(2R)-2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-1-phenylpropan-2-yl)butanamide
CID 100530842
N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 132656451
(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
CID 700516

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide (CID 133162015) is N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide is CC(C(=O)NC(C)(C)Cc1ccccc1)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is HPAPVFUEXOFWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-16(22(26(4,24)25)18-13-9-6-10-14-18)19(23)21-20(2,3)15-17-11-7-5-8-12-17/h5-14,16H,15H2,1-4H3,(H,21,23).
What are the key properties of N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide?
N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 374.51 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 133162015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).