(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide

C20H32BrN3O4S — CID 39484110

IUPAC(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
SMILESCC(C)CN1CCO[C@H](CNC(=O)[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)C1
InChIInChI=1S/C20H32BrN3O4S/c1-14(2)12-24-9-10-28-17(13-24)11-22-20(25)19(15(3)4)23-29(26,27)18-7-5-16(21)6-8-18/h5-8,14-15,17,19,23H,9-13H2,1-4H3,(H,22,25)/t17-,19+/m1/s1
InChIKeyWDIPWTFMZXWCTK-MJGOQNOKSA-N
MW490.46 g/mol
LogP2.22
Rot. Bonds9

About (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide

(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide (PubChem CID 39484110) has the molecular formula C20H32BrN3O4S and a molecular weight of 490.46 g/mol. Its IUPAC name is (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
PubChem CID39484110
Molecular FormulaC20H32BrN3O4S
Molecular Weight490.46 g/mol
Exact Mass489.13
IUPAC Name(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
SMILESCC(C)CN1CCO[C@H](CNC(=O)[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)C1
InChIInChI=1S/C20H32BrN3O4S/c1-14(2)12-24-9-10-28-17(13-24)11-22-20(25)19(15(3)4)23-29(26,27)18-7-5-16(21)6-8-18/h5-8,14-15,17,19,23H,9-13H2,1-4H3,(H,22,25)/t17-,19+/m1/s1
InChIKeyWDIPWTFMZXWCTK-MJGOQNOKSA-N
XLogP2.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide with MolForge

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Related Compounds

(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
CID 55938732
(2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
CID 35361579
5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 46523422
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 120669400
4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 8511153
4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 46457730
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide
CID 55940674
1-(4-bromophenyl)-5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazole-4-carboxamide
CID 42944288
2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119499904
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-prop-2-ynylbutanamide
CID 60618353
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide?
The IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide (CID 39484110) is (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide.
What is the SMILES notation for (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide?
The canonical SMILES for (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide is CC(C)CN1CCO[C@H](CNC(=O)[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)C1.
What is the InChIKey of (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide?
The InChIKey is WDIPWTFMZXWCTK-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H32BrN3O4S/c1-14(2)12-24-9-10-28-17(13-24)11-22-20(25)19(15(3)4)23-29(26,27)18-7-5-16(21)6-8-18/h5-8,14-15,17,19,23H,9-13H2,1-4H3,(H,22,25)/t17-,19+/m1/s1.
What are the key properties of (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide?
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide has a molecular weight of 490.46 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide is sourced from PubChem (CID 39484110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).