2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide

C18H23N3O3S — CID 113151663

IUPAC2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN(Cc2cccnc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H23N3O3S/c1-14(2)16-6-8-17(9-7-16)20-18(22)13-21(25(3,23)24)12-15-5-4-10-19-11-15/h4-11,14H,12-13H2,1-3H3,(H,20,22)
InChIKeyFLPVAVKVNBPYSV-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.61
Rot. Bonds7

About 2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide

2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 113151663) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID113151663
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN(Cc2cccnc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H23N3O3S/c1-14(2)16-6-8-17(9-7-16)20-18(22)13-21(25(3,23)24)12-15-5-4-10-19-11-15/h4-11,14H,12-13H2,1-3H3,(H,20,22)
InChIKeyFLPVAVKVNBPYSV-UHFFFAOYSA-N
XLogP2.61
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151704
2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 113150711
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 4543333
N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151684
N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151708
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
CID 113139932
N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139946
N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151652
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 113151198
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 2230213
2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide
CID 1315450
N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151614

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide (CID 113151663) is 2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CN(Cc2cccnc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is FLPVAVKVNBPYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14(2)16-6-8-17(9-7-16)20-18(22)13-21(25(3,23)24)12-15-5-4-10-19-11-15/h4-11,14H,12-13H2,1-3H3,(H,20,22).
What are the key properties of 2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide?
2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 361.47 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113151663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).