N-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

C19H25N3O3S — CID 50945576

IUPACN-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCN1CCC(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)CC1
InChIInChI=1S/C19H25N3O3S/c1-21-12-10-16(11-13-21)20-19(23)14-22(26(2,24)25)18-9-5-7-15-6-3-4-8-17(15)18/h3-9,16H,10-14H2,1-2H3,(H,20,23)
InChIKeyBGEIQEZHRMJHLY-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.82
Rot. Bonds5

About N-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

N-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (PubChem CID 50945576) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
PubChem CID50945576
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCN1CCC(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)CC1
InChIInChI=1S/C19H25N3O3S/c1-21-12-10-16(11-13-21)20-19(23)14-22(26(2,24)25)18-9-5-7-15-6-3-4-8-17(15)18/h3-9,16H,10-14H2,1-2H3,(H,20,23)
InChIKeyBGEIQEZHRMJHLY-UHFFFAOYSA-N
XLogP1.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 50946237
N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide
CID 50895807
N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 846470
N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30265676
N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 700395
1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide
CID 126035425
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 50946845
N-cyclopentyl-2-(N-methylsulfonyl-2-morpholin-4-ylanilino)acetamide
CID 113156357
N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 126130247
2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide
CID 113157125
N-(4-methyl-4-phenylpentan-2-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 43896244
2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 50946578

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (CID 50945576) is N-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is CN1CCC(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The InChIKey is BGEIQEZHRMJHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-21-12-10-16(11-13-21)20-19(23)14-22(26(2,24)25)18-9-5-7-15-6-3-4-8-17(15)18/h3-9,16H,10-14H2,1-2H3,(H,20,23).
What are the key properties of N-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
N-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide has a molecular weight of 375.49 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is sourced from PubChem (CID 50945576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).