N-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide

C16H17N3O5S — CID 113151548

IUPACN-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccn1
InChIInChI=1S/C16H17N3O5S/c1-25(21,22)19(9-13-4-2-3-7-17-13)10-16(20)18-12-5-6-14-15(8-12)24-11-23-14/h2-8H,9-11H2,1H3,(H,18,20)
InChIKeyWUIQZNBSMYBCPD-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.21
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide (PubChem CID 113151548) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
PubChem CID113151548
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccn1
InChIInChI=1S/C16H17N3O5S/c1-25(21,22)19(9-13-4-2-3-7-17-13)10-16(20)18-12-5-6-14-15(8-12)24-11-23-14/h2-8H,9-11H2,1H3,(H,18,20)
InChIKeyWUIQZNBSMYBCPD-UHFFFAOYSA-N
XLogP1.21
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151497
N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151514
N-(1,3-benzodioxol-5-yl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148598
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113151534
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113067280
N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153343
2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide
CID 113151399
N-(1,3-benzodioxol-5-yl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138726
N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139844
N-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110426267
N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151439
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113151528

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide (CID 113151548) is N-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide?
The InChIKey is WUIQZNBSMYBCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-25(21,22)19(9-13-4-2-3-7-17-13)10-16(20)18-12-5-6-14-15(8-12)24-11-23-14/h2-8H,9-11H2,1H3,(H,18,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide has a molecular weight of 363.40 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 113151548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).