N-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride

C17H28ClN3O3S — CID 120832248

IUPACN-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
SMILESCNC(C)CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-14(18-2)13-19-17(21)12-15-6-8-16(9-7-15)24(22,23)20-10-4-3-5-11-20;/h6-9,14,18H,3-5,10-13H2,1-2H3,(H,19,21);1H
InChIKeyLHJJKEKAYBTINB-UHFFFAOYSA-N
MW389.95 g/mol
LogP1.55
Rot. Bonds7

About N-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride

N-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride (PubChem CID 120832248) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
PubChem CID120832248
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
SMILESCNC(C)CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-14(18-2)13-19-17(21)12-15-6-8-16(9-7-15)24(22,23)20-10-4-3-5-11-20;/h6-9,14,18H,3-5,10-13H2,1-2H3,(H,19,21);1H
InChIKeyLHJJKEKAYBTINB-UHFFFAOYSA-N
XLogP1.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R,4S)-4-hydroxypentan-2-yl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 97350505
N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9399959
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
2-methyl-3-(methylamino)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119735907
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119606419
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 7555478
2-(4-ethylphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120832655
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 17248838
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
methyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate
CID 9404670
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 134029023
N-(6-methylheptan-2-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 24677488

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride (CID 120832248) is N-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride is CNC(C)CNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride?
The InChIKey is LHJJKEKAYBTINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-14(18-2)13-19-17(21)12-15-6-8-16(9-7-15)24(22,23)20-10-4-3-5-11-20;/h6-9,14,18H,3-5,10-13H2,1-2H3,(H,19,21);1H.
What are the key properties of N-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride?
N-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120832248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).