N,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide

C24H33N3O3S — CID 110827935

IUPACN,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)CNCC(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C24H33N3O3S/c1-3-27(4-2)31(29,30)22-14-12-21(13-15-22)24(28)19-25-18-23(26-16-8-9-17-26)20-10-6-5-7-11-20/h5-7,10-15,23,25H,3-4,8-9,16-19H2,1-2H3
InChIKeyBAVIRZZCYPCFSW-UHFFFAOYSA-N
MW443.61 g/mol
LogP3.33
Rot. Bonds11

About N,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide

N,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide (PubChem CID 110827935) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is N,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide
PubChem CID110827935
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC NameN,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)CNCC(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C24H33N3O3S/c1-3-27(4-2)31(29,30)22-14-12-21(13-15-22)24(28)19-25-18-23(26-16-8-9-17-26)20-10-6-5-7-11-20/h5-7,10-15,23,25H,3-4,8-9,16-19H2,1-2H3
InChIKeyBAVIRZZCYPCFSW-UHFFFAOYSA-N
XLogP3.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
CID 110825707
2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828071
1-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]ethanone
CID 110825336
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 43005232
2-[[2-(4-methylphenyl)-2-piperidin-1-ylethyl]amino]-1-(4-nitrophenyl)ethanone
CID 110830131
2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828089
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
CID 110828347
4-(diethylsulfamoyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide
CID 43064828
1-(3-fluoro-4-methoxyphenyl)-2-[(2-phenyl-2-piperidin-1-ylethyl)amino]ethanone
CID 110825838
2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-(4-nitrophenyl)ethanone
CID 110830116
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828098

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide (CID 110827935) is N,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)CNCC(c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of N,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide?
The InChIKey is BAVIRZZCYPCFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-3-27(4-2)31(29,30)22-14-12-21(13-15-22)24(28)19-25-18-23(26-16-8-9-17-26)20-10-6-5-7-11-20/h5-7,10-15,23,25H,3-4,8-9,16-19H2,1-2H3.
What are the key properties of N,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide?
N,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide has a molecular weight of 443.61 g/mol, XLogP of 3.33, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]acetyl]benzenesulfonamide is sourced from PubChem (CID 110827935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).