2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[3-(dimethylamino)propyl]-N-methylacetamide

C23H31ClN4O4S — CID 20580883

IUPAC2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[3-(dimethylamino)propyl]-N-methylacetamide
SMILESCN(C)CCCN(C)C(=O)CN1CCCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C23H31ClN4O4S/c1-26(2)11-5-12-27(3)22(29)16-28-13-4-6-21(23(28)30)25-33(31,32)20-10-8-17-14-19(24)9-7-18(17)15-20/h7-10,14-15,21,25H,4-6,11-13,16H2,1-3H3
InChIKeyAHTDDQDMUZGZEA-UHFFFAOYSA-N
MW495.05 g/mol
LogP2.17
Rot. Bonds9

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

2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[3-(dimethylamino)propyl]-N-methylacetamide (PubChem CID 20580883) has the molecular formula C23H31ClN4O4S and a molecular weight of 495.05 g/mol. Its IUPAC name is 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[3-(dimethylamino)propyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[3-(dimethylamino)propyl]-N-methylacetamide
PubChem CID20580883
Molecular FormulaC23H31ClN4O4S
Molecular Weight495.05 g/mol
Exact Mass494.18
IUPAC Name2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[3-(dimethylamino)propyl]-N-methylacetamide
SMILESCN(C)CCCN(C)C(=O)CN1CCCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C23H31ClN4O4S/c1-26(2)11-5-12-27(3)22(29)16-28-13-4-6-21(23(28)30)25-33(31,32)20-10-8-17-14-19(24)9-7-18(17)15-20/h7-10,14-15,21,25H,4-6,11-13,16H2,1-3H3
InChIKeyAHTDDQDMUZGZEA-UHFFFAOYSA-N
XLogP2.17
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.05
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 20580879
2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 20580880
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
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
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-[(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
N-[(3S)-1-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]-6-chloronaphthalene-2-sulfonamide
CID 57399315
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-(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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[3-(dimethylamino)propyl]-N-methylacetamide?
The IUPAC name of 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[3-(dimethylamino)propyl]-N-methylacetamide (CID 20580883) is 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[3-(dimethylamino)propyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[3-(dimethylamino)propyl]-N-methylacetamide?
The canonical SMILES for 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[3-(dimethylamino)propyl]-N-methylacetamide is CN(C)CCCN(C)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-[3-(dimethylamino)propyl]-N-methylacetamide?
The InChIKey is AHTDDQDMUZGZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN4O4S/c1-26(2)11-5-12-27(3)22(29)16-28-13-4-6-21(23(28)30)25-33(31,32)20-10-8-17-14-19(24)9-7-18(17)15-20/h7-10,14-15,21,25H,4-6,11-13,16H2,1-3H3.
What are the key properties of 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[3-(dimethylamino)propyl]-N-methylacetamide?
2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[3-(dimethylamino)propyl]-N-methylacetamide has a molecular weight of 495.05 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]-N-[3-(dimethylamino)propyl]-N-methylacetamide is sourced from PubChem (CID 20580883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).