N,N-diethyl-5-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-5-oxopentanamide

C22H35N3O4S — CID 56521008

IUPACN,N-diethyl-5-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-5-oxopentanamide
SMILESCCN(CC)C(=O)CCCC(=O)N1CCCC(CNS(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C22H35N3O4S/c1-4-24(5-2)21(26)9-6-10-22(27)25-15-7-8-19(17-25)16-23-30(28,29)20-13-11-18(3)12-14-20/h11-14,19,23H,4-10,15-17H2,1-3H3
InChIKeyBJTRQRYYUHWBII-UHFFFAOYSA-N
MW437.61 g/mol
LogP2.55
Rot. Bonds10

About N,N-diethyl-5-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-5-oxopentanamide

N,N-diethyl-5-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-5-oxopentanamide (PubChem CID 56521008) has the molecular formula C22H35N3O4S and a molecular weight of 437.61 g/mol. Its IUPAC name is N,N-diethyl-5-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-5-oxopentanamide.

Molecular Properties

Compound NameN,N-diethyl-5-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-5-oxopentanamide
PubChem CID56521008
Molecular FormulaC22H35N3O4S
Molecular Weight437.61 g/mol
Exact Mass437.23
IUPAC NameN,N-diethyl-5-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-5-oxopentanamide
SMILESCCN(CC)C(=O)CCCC(=O)N1CCCC(CNS(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C22H35N3O4S/c1-4-24(5-2)21(26)9-6-10-22(27)25-15-7-8-19(17-25)16-23-30(28,29)20-13-11-18(3)12-14-20/h11-14,19,23H,4-10,15-17H2,1-3H3
InChIKeyBJTRQRYYUHWBII-UHFFFAOYSA-N
XLogP2.55
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-aminobutanoyl)piperidin-3-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 119314566
N-[[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide
CID 119314559
4-methyl-N-[[1-[2-(4-nitrophenyl)acetyl]piperidin-3-yl]methyl]benzenesulfonamide
CID 60618195
4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 52507385
N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 119314564
N-[[1-(4-amino-3-methoxybutanoyl)piperidin-3-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120591312
4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 52522304
N-[[(3S)-1-(2,3-dichlorobenzoyl)piperidin-3-yl]methyl]-4-methylbenzenesulfonamide
CID 52859988
N-[[1-[3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide
CID 76879503
N-[[(3R)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide
CID 95250014
1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine
CID 115642411
4-methoxy-N-[[(3R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 26333357

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-5-oxopentanamide?
The IUPAC name of N,N-diethyl-5-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-5-oxopentanamide (CID 56521008) is N,N-diethyl-5-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-5-oxopentanamide.
What is the SMILES notation for N,N-diethyl-5-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-5-oxopentanamide?
The canonical SMILES for N,N-diethyl-5-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-5-oxopentanamide is CCN(CC)C(=O)CCCC(=O)N1CCCC(CNS(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of N,N-diethyl-5-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-5-oxopentanamide?
The InChIKey is BJTRQRYYUHWBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O4S/c1-4-24(5-2)21(26)9-6-10-22(27)25-15-7-8-19(17-25)16-23-30(28,29)20-13-11-18(3)12-14-20/h11-14,19,23H,4-10,15-17H2,1-3H3.
What are the key properties of N,N-diethyl-5-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-5-oxopentanamide?
N,N-diethyl-5-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-5-oxopentanamide has a molecular weight of 437.61 g/mol, XLogP of 2.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-5-oxopentanamide is sourced from PubChem (CID 56521008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).