N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide

C15H16ClN3O3S — CID 113151514

IUPACN-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)Cc1ccccn1
InChIInChI=1S/C15H16ClN3O3S/c1-23(21,22)19(10-14-4-2-3-9-17-14)11-15(20)18-13-7-5-12(16)6-8-13/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeySMFPFLMZVDPCJC-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.14
Rot. Bonds6

About N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide

N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide (PubChem CID 113151514) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
PubChem CID113151514
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC NameN-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)Cc1ccccn1
InChIInChI=1S/C15H16ClN3O3S/c1-23(21,22)19(10-14-4-2-3-9-17-14)11-15(20)18-13-7-5-12(16)6-8-13/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeySMFPFLMZVDPCJC-UHFFFAOYSA-N
XLogP2.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151497
N-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151548
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113151534
N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151439
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151204
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113151528
2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide
CID 113067274
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 2301952
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide
CID 113151480
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 4543333
N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139844
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113067268

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide (CID 113151514) is N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)Cc1ccccn1.
What is the InChIKey of N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide?
The InChIKey is SMFPFLMZVDPCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c1-23(21,22)19(10-14-4-2-3-9-17-14)11-15(20)18-13-7-5-12(16)6-8-13/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide?
N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide has a molecular weight of 353.83 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 113151514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).