(2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide

C17H25BrN2O4S — CID 96537490

IUPAC(2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide
SMILESC[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC[C@H](C)N1CCOCC1
InChIInChI=1S/C17H25BrN2O4S/c1-13(12-25(22,23)16-5-3-15(18)4-6-16)17(21)19-11-14(2)20-7-9-24-10-8-20/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)/t13-,14-/m0/s1
InChIKeyLLFGYPFXQRQGRW-KBPBESRZSA-N
MW433.37 g/mol
LogP1.70
Rot. Bonds7

About (2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide

(2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide (PubChem CID 96537490) has the molecular formula C17H25BrN2O4S and a molecular weight of 433.37 g/mol. Its IUPAC name is (2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide.

Molecular Properties

Compound Name(2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide
PubChem CID96537490
Molecular FormulaC17H25BrN2O4S
Molecular Weight433.37 g/mol
Exact Mass432.07
IUPAC Name(2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide
SMILESC[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC[C@H](C)N1CCOCC1
InChIInChI=1S/C17H25BrN2O4S/c1-13(12-25(22,23)16-5-3-15(18)4-6-16)17(21)19-11-14(2)20-7-9-24-10-8-20/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)/t13-,14-/m0/s1
InChIKeyLLFGYPFXQRQGRW-KBPBESRZSA-N
XLogP1.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide?
The IUPAC name of (2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide (CID 96537490) is (2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide.
What is the SMILES notation for (2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide?
The canonical SMILES for (2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide is C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC[C@H](C)N1CCOCC1.
What is the InChIKey of (2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide?
The InChIKey is LLFGYPFXQRQGRW-KBPBESRZSA-N. The full InChI is InChI=1S/C17H25BrN2O4S/c1-13(12-25(22,23)16-5-3-15(18)4-6-16)17(21)19-11-14(2)20-7-9-24-10-8-20/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)/t13-,14-/m0/s1.
What are the key properties of (2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide?
(2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide has a molecular weight of 433.37 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide is sourced from PubChem (CID 96537490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).