2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide

C15H23BrN2O3S — CID 120651607

IUPAC2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide
SMILESCCN[C@H](C)CNC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O3S/c1-5-17-11(2)10-18-14(19)15(3,4)22(20,21)13-8-6-12(16)7-9-13/h6-9,11,17H,5,10H2,1-4H3,(H,18,19)/t11-/m1/s1
InChIKeyMEYHISONCUKZRZ-LLVKDONJSA-N
MW391.33 g/mol
LogP2.12
Rot. Bonds7

About 2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide

2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide (PubChem CID 120651607) has the molecular formula C15H23BrN2O3S and a molecular weight of 391.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide
PubChem CID120651607
Molecular FormulaC15H23BrN2O3S
Molecular Weight391.33 g/mol
Exact Mass390.06
IUPAC Name2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide
SMILESCCN[C@H](C)CNC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O3S/c1-5-17-11(2)10-18-14(19)15(3,4)22(20,21)13-8-6-12(16)7-9-13/h6-9,11,17H,5,10H2,1-4H3,(H,18,19)/t11-/m1/s1
InChIKeyMEYHISONCUKZRZ-LLVKDONJSA-N
XLogP2.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride
CID 119508899
2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide
CID 120652269
N-[(2R)-2-(ethylamino)propyl]-2,2-dimethylbutanamide
CID 120653493
N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-phenylpropanamide;hydrochloride
CID 120653206
(2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride
CID 119328873
4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
2-(4-bromophenyl)sulfonyl-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
CID 86880687
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide
CID 120650381
N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 120650380
3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide
CID 120830071
5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120665143

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide (CID 120651607) is 2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide is CCN[C@H](C)CNC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide?
The InChIKey is MEYHISONCUKZRZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23BrN2O3S/c1-5-17-11(2)10-18-14(19)15(3,4)22(20,21)13-8-6-12(16)7-9-13/h6-9,11,17H,5,10H2,1-4H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide?
2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide has a molecular weight of 391.33 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide is sourced from PubChem (CID 120651607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).