2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[(2-chlorophenyl)methyl]-N-methylacetamide

C25H25Cl2N3O4S — CID 20580880

IUPAC2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[(2-chlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1Cl)C(=O)CN1CCCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C25H25Cl2N3O4S/c1-29(15-19-5-2-3-6-22(19)27)24(31)16-30-12-4-7-23(25(30)32)28-35(33,34)21-11-9-17-13-20(26)10-8-18(17)14-21/h2-3,5-6,8-11,13-14,23,28H,4,7,12,15-16H2,1H3
InChIKeyAUBHAHVXWMHNNH-UHFFFAOYSA-N
MW534.47 g/mol
LogP4.07
Rot. Bonds7

About 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[(2-chlorophenyl)methyl]-N-methylacetamide

2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[(2-chlorophenyl)methyl]-N-methylacetamide (PubChem CID 20580880) has the molecular formula C25H25Cl2N3O4S and a molecular weight of 534.47 g/mol. Its IUPAC name is 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[(2-chlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[(2-chlorophenyl)methyl]-N-methylacetamide
PubChem CID20580880
Molecular FormulaC25H25Cl2N3O4S
Molecular Weight534.47 g/mol
Exact Mass533.09
IUPAC Name2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[(2-chlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1Cl)C(=O)CN1CCCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C25H25Cl2N3O4S/c1-29(15-19-5-2-3-6-22(19)27)24(31)16-30-12-4-7-23(25(30)32)28-35(33,34)21-11-9-17-13-20(26)10-8-18(17)14-21/h2-3,5-6,8-11,13-14,23,28H,4,7,12,15-16H2,1H3
InChIKeyAUBHAHVXWMHNNH-UHFFFAOYSA-N
XLogP4.07
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[3-(dimethylamino)propyl]-N-methylacetamide
CID 20580883
2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid
CID 20580878
2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetic acid
CID 59056535
2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 20580879
6-chloro-N-[(3S)-1-[2-[(4R)-5-[2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
CID 91188639
6-chloro-N-[(3S)-1-[2-[7-[2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
CID 59056587
N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzyl-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetamide
CID 59056405
6-chloro-N-[2-oxo-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
CID 20581417
6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
CID 20581375
6-chloro-N-[2-oxo-1-[2-oxo-2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
CID 20581407
methyl (2S,4R)-1-[2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]acetyl]-4-hydroxypyrrolidine-2-carboxylate
CID 59056894
N-[(3S)-1-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-6-chloronaphthalene-2-sulfonamide
CID 57399315

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[(2-chlorophenyl)methyl]-N-methylacetamide (CID 20580880) is 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[(2-chlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[(2-chlorophenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1Cl)C(=O)CN1CCCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.
What is the InChIKey of 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
The InChIKey is AUBHAHVXWMHNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O4S/c1-29(15-19-5-2-3-6-22(19)27)24(31)16-30-12-4-7-23(25(30)32)28-35(33,34)21-11-9-17-13-20(26)10-8-18(17)14-21/h2-3,5-6,8-11,13-14,23,28H,4,7,12,15-16H2,1H3.
What are the key properties of 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[(2-chlorophenyl)methyl]-N-methylacetamide has a molecular weight of 534.47 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[(2-chlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 20580880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).