N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide

C15H24N2O3S — CID 120653669

IUPACN-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide
SMILESCCN[C@H](C)CNC(=O)c1ccccc1S(=O)(=O)C(C)C
InChIInChI=1S/C15H24N2O3S/c1-5-16-12(4)10-17-15(18)13-8-6-7-9-14(13)21(19,20)11(2)3/h6-9,11-12,16H,5,10H2,1-4H3,(H,17,18)/t12-/m1/s1
InChIKeyLZVVZJDXPMQINV-GFCCVEGCSA-N
MW312.44 g/mol
LogP1.60
Rot. Bonds7

About N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide

N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide (PubChem CID 120653669) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide
PubChem CID120653669
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide
SMILESCCN[C@H](C)CNC(=O)c1ccccc1S(=O)(=O)C(C)C
InChIInChI=1S/C15H24N2O3S/c1-5-16-12(4)10-17-15(18)13-8-6-7-9-14(13)21(19,20)11(2)3/h6-9,11-12,16H,5,10H2,1-4H3,(H,17,18)/t12-/m1/s1
InChIKeyLZVVZJDXPMQINV-GFCCVEGCSA-N
XLogP1.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652333
N-[(2R)-2-(ethylamino)propyl]-2-(ethylsulfonylamino)benzamide
CID 120650735
N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride
CID 120650844
N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide
CID 120650563
2-benzyl-3-[(2-propan-2-ylsulfonylbenzoyl)amino]propanoic acid
CID 119233678
N-(2-amino-2-methylpropyl)-2-propan-2-ylsulfonylbenzamide;hydrochloride
CID 119629770
2-benzoyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654591
N-[(2R)-2-(ethylamino)propyl]-2-methoxybenzamide
CID 120650635
2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120831298
2-benzyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120650587
N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide
CID 120651699
2-(4-chlorobenzoyl)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120655275

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide (CID 120653669) is N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide is CCN[C@H](C)CNC(=O)c1ccccc1S(=O)(=O)C(C)C.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide?
The InChIKey is LZVVZJDXPMQINV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-16-12(4)10-17-15(18)13-8-6-7-9-14(13)21(19,20)11(2)3/h6-9,11-12,16H,5,10H2,1-4H3,(H,17,18)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide?
N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 120653669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).