(2R)-2-(benzylsulfonylamino)-N-[(1S)-1-(4-bromophenyl)propyl]propanamide

C19H23BrN2O3S — CID 51966035

IUPAC(2R)-2-(benzylsulfonylamino)-N-[(1S)-1-(4-bromophenyl)propyl]propanamide
SMILESCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O3S/c1-3-18(16-9-11-17(20)12-10-16)21-19(23)14(2)22-26(24,25)13-15-7-5-4-6-8-15/h4-12,14,18,22H,3,13H2,1-2H3,(H,21,23)/t14-,18+/m1/s1
InChIKeyQRIZLGAXQYWRKH-KDOFPFPSSA-N
MW439.38 g/mol
LogP3.52
Rot. Bonds8

About (2R)-2-(benzylsulfonylamino)-N-[(1S)-1-(4-bromophenyl)propyl]propanamide

(2R)-2-(benzylsulfonylamino)-N-[(1S)-1-(4-bromophenyl)propyl]propanamide (PubChem CID 51966035) has the molecular formula C19H23BrN2O3S and a molecular weight of 439.38 g/mol. Its IUPAC name is (2R)-2-(benzylsulfonylamino)-N-[(1S)-1-(4-bromophenyl)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(benzylsulfonylamino)-N-[(1S)-1-(4-bromophenyl)propyl]propanamide
PubChem CID51966035
Molecular FormulaC19H23BrN2O3S
Molecular Weight439.38 g/mol
Exact Mass438.06
IUPAC Name(2R)-2-(benzylsulfonylamino)-N-[(1S)-1-(4-bromophenyl)propyl]propanamide
SMILESCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O3S/c1-3-18(16-9-11-17(20)12-10-16)21-19(23)14(2)22-26(24,25)13-15-7-5-4-6-8-15/h4-12,14,18,22H,3,13H2,1-2H3,(H,21,23)/t14-,18+/m1/s1
InChIKeyQRIZLGAXQYWRKH-KDOFPFPSSA-N
XLogP3.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-1-oxopropan-2-yl]carbamate
CID 39958923
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037887
N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299263
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
ethyl 2-(benzylsulfonylamino)propanoate
CID 61235781
2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
1-(4-bromophenyl)-3-(1-phenylpropyl)urea
CID 3395265
(3R)-3-(benzylsulfonylamino)-3-(4-ethoxyphenyl)propanoic acid
CID 1266545
2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide
CID 65224708
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzylsulfonylamino)-N-[(1S)-1-(4-bromophenyl)propyl]propanamide?
The IUPAC name of (2R)-2-(benzylsulfonylamino)-N-[(1S)-1-(4-bromophenyl)propyl]propanamide (CID 51966035) is (2R)-2-(benzylsulfonylamino)-N-[(1S)-1-(4-bromophenyl)propyl]propanamide.
What is the SMILES notation for (2R)-2-(benzylsulfonylamino)-N-[(1S)-1-(4-bromophenyl)propyl]propanamide?
The canonical SMILES for (2R)-2-(benzylsulfonylamino)-N-[(1S)-1-(4-bromophenyl)propyl]propanamide is CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-(benzylsulfonylamino)-N-[(1S)-1-(4-bromophenyl)propyl]propanamide?
The InChIKey is QRIZLGAXQYWRKH-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H23BrN2O3S/c1-3-18(16-9-11-17(20)12-10-16)21-19(23)14(2)22-26(24,25)13-15-7-5-4-6-8-15/h4-12,14,18,22H,3,13H2,1-2H3,(H,21,23)/t14-,18+/m1/s1.
What are the key properties of (2R)-2-(benzylsulfonylamino)-N-[(1S)-1-(4-bromophenyl)propyl]propanamide?
(2R)-2-(benzylsulfonylamino)-N-[(1S)-1-(4-bromophenyl)propyl]propanamide has a molecular weight of 439.38 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzylsulfonylamino)-N-[(1S)-1-(4-bromophenyl)propyl]propanamide is sourced from PubChem (CID 51966035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).