N,N-diethyl-6-oxo-1-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]pyridine-3-sulfonamide

C21H27N3O4S — CID 30218825

IUPACN,N-diethyl-6-oxo-1-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC[C@H]2c2ccccc2)c1
InChIInChI=1S/C21H27N3O4S/c1-3-23(4-2)29(27,28)18-12-13-20(25)22(15-18)16-21(26)24-14-8-11-19(24)17-9-6-5-7-10-17/h5-7,9-10,12-13,15,19H,3-4,8,11,14,16H2,1-2H3/t19-/m0/s1
InChIKeySDDGEHGTKGZVKR-IBGZPJMESA-N
MW417.53 g/mol
LogP2.24
Rot. Bonds7

About N,N-diethyl-6-oxo-1-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]pyridine-3-sulfonamide

N,N-diethyl-6-oxo-1-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]pyridine-3-sulfonamide (PubChem CID 30218825) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N,N-diethyl-6-oxo-1-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-oxo-1-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]pyridine-3-sulfonamide
PubChem CID30218825
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN,N-diethyl-6-oxo-1-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC[C@H]2c2ccccc2)c1
InChIInChI=1S/C21H27N3O4S/c1-3-23(4-2)29(27,28)18-12-13-20(25)22(15-18)16-21(26)24-14-8-11-19(24)17-9-6-5-7-10-17/h5-7,9-10,12-13,15,19H,3-4,8,11,14,16H2,1-2H3/t19-/m0/s1
InChIKeySDDGEHGTKGZVKR-IBGZPJMESA-N
XLogP2.24
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-Fluorophenyl)methyl]-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-2-one
CID 9507526
N-Benzyl-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 44344067
2-[benzylsulfonyl(2-methylpropyl)amino]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 45488369
N-benzyl-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]methanesulfonamide
CID 848131
N-[1-(4-Methyl-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-methanesulfonamide
CID 6488641
N-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide (non-preferred name)
CID 1090897
N~1~-benzyl-N~2~-cyclohexyl-N~1~-methyl-N~2~-(methylsulfonyl)glycinamide
CID 954160
1-[2-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 16290982
1-[1-(4-Fluorophenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 16303645
1-[(3-Fluorophenyl)methyl]-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-2-one
CID 30996037
1-[(3-Fluorophenyl)methyl]-3-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-2-one
CID 53161836
N-[2-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 72000260

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-oxo-1-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-oxo-1-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]pyridine-3-sulfonamide (CID 30218825) is N,N-diethyl-6-oxo-1-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-oxo-1-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-oxo-1-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC[C@H]2c2ccccc2)c1.
What is the InChIKey of N,N-diethyl-6-oxo-1-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]pyridine-3-sulfonamide?
The InChIKey is SDDGEHGTKGZVKR-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-3-23(4-2)29(27,28)18-12-13-20(25)22(15-18)16-21(26)24-14-8-11-19(24)17-9-6-5-7-10-17/h5-7,9-10,12-13,15,19H,3-4,8,11,14,16H2,1-2H3/t19-/m0/s1.
What are the key properties of N,N-diethyl-6-oxo-1-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]pyridine-3-sulfonamide?
N,N-diethyl-6-oxo-1-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]pyridine-3-sulfonamide has a molecular weight of 417.53 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-oxo-1-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 30218825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).