2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide

C18H23N3O4S — CID 113151528

IUPAC2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CN(Cc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C18H23N3O4S/c1-14(2)25-17-10-5-4-9-16(17)20-18(22)13-21(26(3,23)24)12-15-8-6-7-11-19-15/h4-11,14H,12-13H2,1-3H3,(H,20,22)
InChIKeyMCUWDFKJUFWBOO-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.27
Rot. Bonds8

About 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide

2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 113151528) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID113151528
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CN(Cc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C18H23N3O4S/c1-14(2)25-17-10-5-4-9-16(17)20-18(22)13-21(26(3,23)24)12-15-8-6-7-11-19-15/h4-11,14H,12-13H2,1-3H3,(H,20,22)
InChIKeyMCUWDFKJUFWBOO-UHFFFAOYSA-N
XLogP2.27
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methylpropyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113148565
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
2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113150910
N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151439
N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 59341012
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide
CID 113151480
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
2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999278
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113137130
2-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 113163524

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide (CID 113151528) is 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccccc1NC(=O)CN(Cc1ccccn1)S(C)(=O)=O.
What is the InChIKey of 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is MCUWDFKJUFWBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-14(2)25-17-10-5-4-9-16(17)20-18(22)13-21(26(3,23)24)12-15-8-6-7-11-19-15/h4-11,14H,12-13H2,1-3H3,(H,20,22).
What are the key properties of 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide?
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 113151528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).