N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide

C18H29N3O3S — CID 8649700

IUPACN,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)N2CCCC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-4-21(5-2)25(23,24)17-10-8-16(9-11-17)15(3)19-14-18(22)20-12-6-7-13-20/h8-11,15,19H,4-7,12-14H2,1-3H3/t15-/m1/s1
InChIKeyBOKBMAJATWOPBM-OAHLLOKOSA-N
MW367.52 g/mol
LogP1.99
Rot. Bonds8

About N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide

N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide (PubChem CID 8649700) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide
PubChem CID8649700
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)N2CCCC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-4-21(5-2)25(23,24)17-10-8-16(9-11-17)15(3)19-14-18(22)20-12-6-7-13-20/h8-11,15,19H,4-7,12-14H2,1-3H3/t15-/m1/s1
InChIKeyBOKBMAJATWOPBM-OAHLLOKOSA-N
XLogP1.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide with MolForge

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Related Compounds

4-[(1S)-1-[[2-(azepan-1-yl)-2-oxoethyl]amino]ethyl]-N,N-diethylbenzenesulfonamide
CID 8643973
N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide
CID 111750198
N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
CID 7601424
2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone
CID 60674178
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide
CID 8650299
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide
CID 8643844
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 8650517
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55338802
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 9393924
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 9394014

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide (CID 8649700) is N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)N2CCCC2)cc1.
What is the InChIKey of N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide?
The InChIKey is BOKBMAJATWOPBM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-21(5-2)25(23,24)17-10-8-16(9-11-17)15(3)19-14-18(22)20-12-6-7-13-20/h8-11,15,19H,4-7,12-14H2,1-3H3/t15-/m1/s1.
What are the key properties of N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide?
N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide has a molecular weight of 367.52 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 8649700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).