4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride

C17H27ClN2O3S — CID 120651710

IUPAC4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1.Cl
InChIInChI=1S/C17H26N2O3S.ClH/c1-3-18-13(2)12-19-17(20)14-8-10-16(11-9-14)23(21,22)15-6-4-5-7-15;/h8-11,13,15,18H,3-7,12H2,1-2H3,(H,19,20);1H/t13-;/m1./s1
InChIKeyPWZQXLXBUBDPRL-BTQNPOSSSA-N
MW374.93 g/mol
LogP2.55
Rot. Bonds7

About 4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride

4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride (PubChem CID 120651710) has the molecular formula C17H27ClN2O3S and a molecular weight of 374.93 g/mol. Its IUPAC name is 4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
PubChem CID120651710
Molecular FormulaC17H27ClN2O3S
Molecular Weight374.93 g/mol
Exact Mass374.14
IUPAC Name4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1.Cl
InChIInChI=1S/C17H26N2O3S.ClH/c1-3-18-13(2)12-19-17(20)14-8-10-16(11-9-14)23(21,22)15-6-4-5-7-15;/h8-11,13,15,18H,3-7,12H2,1-2H3,(H,19,20);1H/t13-;/m1./s1
InChIKeyPWZQXLXBUBDPRL-BTQNPOSSSA-N
XLogP2.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.93
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride
CID 120651468
4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120650528
3-[cyclohexyl(methyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120653199
4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654846
4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120653123
4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide
CID 100665401
4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120651678
N-[(2R)-2-(ethylamino)propyl]-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120655144
N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 120653889
N-[(2R)-2-(ethylamino)propyl]-4-[(4-methylphenyl)sulfonylmethyl]benzamide
CID 120654941
N-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120653498
4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-methylpropyl)benzamide
CID 42362463

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride (CID 120651710) is 4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride is CCN[C@H](C)CNC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1.Cl.
What is the InChIKey of 4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
The InChIKey is PWZQXLXBUBDPRL-BTQNPOSSSA-N. The full InChI is InChI=1S/C17H26N2O3S.ClH/c1-3-18-13(2)12-19-17(20)14-8-10-16(11-9-14)23(21,22)15-6-4-5-7-15;/h8-11,13,15,18H,3-7,12H2,1-2H3,(H,19,20);1H/t13-;/m1./s1.
What are the key properties of 4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride?
4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride has a molecular weight of 374.93 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120651710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).