[(1R)-2-methyl-1-phenylpropyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium

C19H25N2O3S+ — CID 9133093

IUPAC[(1R)-2-methyl-1-phenylpropyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
SMILESCC(C)[C@@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-14(2)19(15-8-5-4-6-9-15)20-13-18(22)21-16-10-7-11-17(12-16)25(3,23)24/h4-12,14,19-20H,13H2,1-3H3,(H,21,22)/p+1/t19-/m1/s1
InChIKeyMSLGMDKXKWOCBV-LJQANCHMSA-O
MW361.49 g/mol
LogP1.99
Rot. Bonds7

About [(1R)-2-methyl-1-phenylpropyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium

[(1R)-2-methyl-1-phenylpropyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium (PubChem CID 9133093) has the molecular formula C19H25N2O3S+ and a molecular weight of 361.49 g/mol. Its IUPAC name is [(1R)-2-methyl-1-phenylpropyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-2-methyl-1-phenylpropyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
PubChem CID9133093
Molecular FormulaC19H25N2O3S+
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC Name[(1R)-2-methyl-1-phenylpropyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
SMILESCC(C)[C@@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-14(2)19(15-8-5-4-6-9-15)20-13-18(22)21-16-10-7-11-17(12-16)25(3,23)24/h4-12,14,19-20H,13H2,1-3H3,(H,21,22)/p+1/t19-/m1/s1
InChIKeyMSLGMDKXKWOCBV-LJQANCHMSA-O
XLogP1.99
TPSA79.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9133031
[2-(3,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131666
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131551
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132977
[2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131601
[(1S)-2-methyl-1-phenylpropyl]-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]azanium
CID 9131656
[2-(4-methoxycarbonylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131730
[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684071
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132012
[2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131816
[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8992793
[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8834577

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-methyl-1-phenylpropyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
The IUPAC name of [(1R)-2-methyl-1-phenylpropyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium (CID 9133093) is [(1R)-2-methyl-1-phenylpropyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-2-methyl-1-phenylpropyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-2-methyl-1-phenylpropyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium is CC(C)[C@@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccccc1.
What is the InChIKey of [(1R)-2-methyl-1-phenylpropyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
The InChIKey is MSLGMDKXKWOCBV-LJQANCHMSA-O. The full InChI is InChI=1S/C19H24N2O3S/c1-14(2)19(15-8-5-4-6-9-15)20-13-18(22)21-16-10-7-11-17(12-16)25(3,23)24/h4-12,14,19-20H,13H2,1-3H3,(H,21,22)/p+1/t19-/m1/s1.
What are the key properties of [(1R)-2-methyl-1-phenylpropyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium?
[(1R)-2-methyl-1-phenylpropyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium has a molecular weight of 361.49 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-methyl-1-phenylpropyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9133093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).