N,N-diethyl-4-[2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]acetyl]benzenesulfonamide

C23H27N3O3S2 — CID 110827923

IUPACN,N-diethyl-4-[2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]acetyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)CN(Cc2cccs2)c2ncccc2C)cc1
InChIInChI=1S/C23H27N3O3S2/c1-4-26(5-2)31(28,29)21-12-10-19(11-13-21)22(27)17-25(16-20-9-7-15-30-20)23-18(3)8-6-14-24-23/h6-15H,4-5,16-17H2,1-3H3
InChIKeyWDXVFPDGDSHXDX-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.37
Rot. Bonds10

About N,N-diethyl-4-[2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]acetyl]benzenesulfonamide

N,N-diethyl-4-[2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]acetyl]benzenesulfonamide (PubChem CID 110827923) has the molecular formula C23H27N3O3S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N,N-diethyl-4-[2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]acetyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]acetyl]benzenesulfonamide
PubChem CID110827923
Molecular FormulaC23H27N3O3S2
Molecular Weight457.62 g/mol
Exact Mass457.15
IUPAC NameN,N-diethyl-4-[2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]acetyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)CN(Cc2cccs2)c2ncccc2C)cc1
InChIInChI=1S/C23H27N3O3S2/c1-4-26(5-2)31(28,29)21-12-10-19(11-13-21)22(27)17-25(16-20-9-7-15-30-20)23-18(3)8-6-14-24-23/h6-15H,4-5,16-17H2,1-3H3
InChIKeyWDXVFPDGDSHXDX-UHFFFAOYSA-N
XLogP4.37
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]ethanone
CID 110829984
2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110829020
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]ethanone
CID 110829710
4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801560
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
N-[4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 30171646
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437377
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 9474553
4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 30171718
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304134

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]acetyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]acetyl]benzenesulfonamide (CID 110827923) is N,N-diethyl-4-[2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]acetyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]acetyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]acetyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)CN(Cc2cccs2)c2ncccc2C)cc1.
What is the InChIKey of N,N-diethyl-4-[2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]acetyl]benzenesulfonamide?
The InChIKey is WDXVFPDGDSHXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S2/c1-4-26(5-2)31(28,29)21-12-10-19(11-13-21)22(27)17-25(16-20-9-7-15-30-20)23-18(3)8-6-14-24-23/h6-15H,4-5,16-17H2,1-3H3.
What are the key properties of N,N-diethyl-4-[2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]acetyl]benzenesulfonamide?
N,N-diethyl-4-[2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]acetyl]benzenesulfonamide has a molecular weight of 457.62 g/mol, XLogP of 4.37, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]acetyl]benzenesulfonamide is sourced from PubChem (CID 110827923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).