N-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride

C18H23ClN2O3S — CID 119628783

IUPACN-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O3S.ClH/c1-18(2,19)13-20-17(21)15-8-10-16(11-9-15)24(22,23)12-14-6-4-3-5-7-14;/h3-11H,12-13,19H2,1-2H3,(H,20,21);1H
InChIKeyIKGPWBGEXDQLJV-UHFFFAOYSA-N
MW382.91 g/mol
LogP2.55
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride

N-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride (PubChem CID 119628783) has the molecular formula C18H23ClN2O3S and a molecular weight of 382.91 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride
PubChem CID119628783
Molecular FormulaC18H23ClN2O3S
Molecular Weight382.91 g/mol
Exact Mass382.11
IUPAC NameN-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O3S.ClH/c1-18(2,19)13-20-17(21)15-8-10-16(11-9-15)24(22,23)12-14-6-4-3-5-7-14;/h3-11H,12-13,19H2,1-2H3,(H,20,21);1H
InChIKeyIKGPWBGEXDQLJV-UHFFFAOYSA-N
XLogP2.55
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119629953
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CID 119628528
N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide
CID 119629882
N-(2-amino-2-methylpropyl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119627863
N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride
CID 119629575
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CID 2960892
N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide
CID 55934258
1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119630029
N-(2-amino-2-methylpropyl)-4-(cyclopropylsulfamoyl)benzamide
CID 119628503
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
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N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride (CID 119628783) is N-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride is CC(C)(N)CNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride?
The InChIKey is IKGPWBGEXDQLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S.ClH/c1-18(2,19)13-20-17(21)15-8-10-16(11-9-15)24(22,23)12-14-6-4-3-5-7-14;/h3-11H,12-13,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride has a molecular weight of 382.91 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119628783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).