(2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

C18H21BrN2O3S — CID 1274947

IUPAC(2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(Br)cc2)C(C)C)cc1
InChIInChI=1S/C18H21BrN2O3S/c1-12(2)17(18(22)20-15-8-6-14(19)7-9-15)21-25(23,24)16-10-4-13(3)5-11-16/h4-12,17,21H,1-3H3,(H,20,22)/t17-/m1/s1
InChIKeyMRYBNMAXHLHSTK-QGZVFWFLSA-N
MW425.35 g/mol
LogP3.70
Rot. Bonds6

About (2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

(2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide (PubChem CID 1274947) has the molecular formula C18H21BrN2O3S and a molecular weight of 425.35 g/mol. Its IUPAC name is (2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
PubChem CID1274947
Molecular FormulaC18H21BrN2O3S
Molecular Weight425.35 g/mol
Exact Mass424.05
IUPAC Name(2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(Br)cc2)C(C)C)cc1
InChIInChI=1S/C18H21BrN2O3S/c1-12(2)17(18(22)20-15-8-6-14(19)7-9-15)21-25(23,24)16-10-4-13(3)5-11-16/h4-12,17,21H,1-3H3,(H,20,22)/t17-/m1/s1
InChIKeyMRYBNMAXHLHSTK-QGZVFWFLSA-N
XLogP3.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 26684004
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate
CID 6933555
N-[(2S)-1-(2-acetylhydrazinyl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzenesulfonamide
CID 9166071
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-prop-2-ynylbutanamide
CID 60618353
2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119499904
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 30273537
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide
CID 126005006
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoic acid
CID 773550
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2606236

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
The IUPAC name of (2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide (CID 1274947) is (2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for (2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
The canonical SMILES for (2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide is Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(Br)cc2)C(C)C)cc1.
What is the InChIKey of (2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
The InChIKey is MRYBNMAXHLHSTK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21BrN2O3S/c1-12(2)17(18(22)20-15-8-6-14(19)7-9-15)21-25(23,24)16-10-4-13(3)5-11-16/h4-12,17,21H,1-3H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide?
(2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide has a molecular weight of 425.35 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromophenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 1274947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).