N-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide

C18H22N2O3S — CID 167975827

IUPACN-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1cccc(CS(=O)(=O)CCC(=O)N(C)Cc2cccnc2)c1
InChIInChI=1S/C18H22N2O3S/c1-15-5-3-6-16(11-15)14-24(22,23)10-8-18(21)20(2)13-17-7-4-9-19-12-17/h3-7,9,11-12H,8,10,13-14H2,1-2H3
InChIKeyVMDDUNLSOCXHFB-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.35
Rot. Bonds7

About N-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide

N-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 167975827) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID167975827
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1cccc(CS(=O)(=O)CCC(=O)N(C)Cc2cccnc2)c1
InChIInChI=1S/C18H22N2O3S/c1-15-5-3-6-16(11-15)14-24(22,23)10-8-18(21)20(2)13-17-7-4-9-19-12-17/h3-7,9,11-12H,8,10,13-14H2,1-2H3
InChIKeyVMDDUNLSOCXHFB-UHFFFAOYSA-N
XLogP2.35
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide
CID 47488024
N-methyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 86978707
N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139894
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
N-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
CID 86932695
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 87010748
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
3-(pyridin-3-ylmethylsulfonyl)propanamide
CID 90715302
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide (CID 167975827) is N-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide is Cc1cccc(CS(=O)(=O)CCC(=O)N(C)Cc2cccnc2)c1.
What is the InChIKey of N-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is VMDDUNLSOCXHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-15-5-3-6-16(11-15)14-24(22,23)10-8-18(21)20(2)13-17-7-4-9-19-12-17/h3-7,9,11-12H,8,10,13-14H2,1-2H3.
What are the key properties of N-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide?
N-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 167975827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).