N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide

C17H23N3O4S2 — CID 113067398

IUPACN-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide
SMILESCS(=O)(=O)N(CCNS(=O)(=O)CCc1ccccc1)Cc1cccnc1
InChIInChI=1S/C17H23N3O4S2/c1-25(21,22)20(15-17-8-5-10-18-14-17)12-11-19-26(23,24)13-9-16-6-3-2-4-7-16/h2-8,10,14,19H,9,11-13,15H2,1H3
InChIKeyBJGPQGMAJSUPGZ-UHFFFAOYSA-N
MW397.52 g/mol
LogP1.01
Rot. Bonds10

About N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide

N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide (PubChem CID 113067398) has the molecular formula C17H23N3O4S2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide
PubChem CID113067398
Molecular FormulaC17H23N3O4S2
Molecular Weight397.52 g/mol
Exact Mass397.11
IUPAC NameN-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide
SMILESCS(=O)(=O)N(CCNS(=O)(=O)CCc1ccccc1)Cc1cccnc1
InChIInChI=1S/C17H23N3O4S2/c1-25(21,22)20(15-17-8-5-10-18-14-17)12-11-19-26(23,24)13-9-16-6-3-2-4-7-16/h2-8,10,14,19H,9,11-13,15H2,1H3
InChIKeyBJGPQGMAJSUPGZ-UHFFFAOYSA-N
XLogP1.01
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide
CID 113067334
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
CID 113139932
N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139894
1-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-3-propan-2-ylurea
CID 113067380
2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide
CID 113067370
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide
CID 113067436
N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide
CID 110661317
N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151614
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110724741
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113139903
N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151708

Frequently Asked Questions

What is the IUPAC name of N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide (CID 113067398) is N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide is CS(=O)(=O)N(CCNS(=O)(=O)CCc1ccccc1)Cc1cccnc1.
What is the InChIKey of N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide?
The InChIKey is BJGPQGMAJSUPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S2/c1-25(21,22)20(15-17-8-5-10-18-14-17)12-11-19-26(23,24)13-9-16-6-3-2-4-7-16/h2-8,10,14,19H,9,11-13,15H2,1H3.
What are the key properties of N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide?
N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide has a molecular weight of 397.52 g/mol, XLogP of 1.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 113067398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).