N-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride

C19H26ClN3O3S — CID 120602534

IUPACN-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride
SMILESCC1CC(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CCN1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-14-12-17(8-10-20-14)22-19(23)9-11-21-26(24,25)18-7-6-15-4-2-3-5-16(15)13-18;/h2-7,13-14,17,20-21H,8-12H2,1H3,(H,22,23);1H
InChIKeyWPYOOUIBPSUAHQ-UHFFFAOYSA-N
MW411.96 g/mol
LogP2.19
Rot. Bonds6

About N-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride

N-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride (PubChem CID 120602534) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride
PubChem CID120602534
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC NameN-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride
SMILESCC1CC(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CCN1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-14-12-17(8-10-20-14)22-19(23)9-11-21-26(24,25)18-7-6-15-4-2-3-5-16(15)13-18;/h2-7,13-14,17,20-21H,8-12H2,1H3,(H,22,23);1H
InChIKeyWPYOOUIBPSUAHQ-UHFFFAOYSA-N
XLogP2.19
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(naphthalen-2-ylsulfonylamino)-N-piperidin-4-ylpropanamide
CID 119388771
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CID 120602480
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414480
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CID 120602047
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414454
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-1-ylpropanamide
CID 9271723
(2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid
CID 119238107
N-(2-methylpiperidin-4-yl)-2-naphthalen-1-yloxyacetamide;hydrochloride
CID 120599567
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride (CID 120602534) is N-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride is CC1CC(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CCN1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride?
The InChIKey is WPYOOUIBPSUAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c1-14-12-17(8-10-20-14)22-19(23)9-11-21-26(24,25)18-7-6-15-4-2-3-5-16(15)13-18;/h2-7,13-14,17,20-21H,8-12H2,1H3,(H,22,23);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride is sourced from PubChem (CID 120602534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).