3-(4-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide

C16H18N2O3S — CID 4107644

IUPAC3-(4-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C16H18N2O3S/c1-12-3-5-14(6-4-12)22(20,21)10-8-16(19)18-15-11-13(2)7-9-17-15/h3-7,9,11H,8,10H2,1-2H3,(H,17,18,19)
InChIKeyVPNLSGJJVSQOPN-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.50
Rot. Bonds5

About 3-(4-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide

3-(4-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 4107644) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide
PubChem CID4107644
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name3-(4-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C16H18N2O3S/c1-12-3-5-14(6-4-12)22(20,21)10-8-16(19)18-15-11-13(2)7-9-17-15/h3-7,9,11H,8,10H2,1-2H3,(H,17,18,19)
InChIKeyVPNLSGJJVSQOPN-UHFFFAOYSA-N
XLogP2.50
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide (CID 4107644) is 3-(4-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C)ccn2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide?
The InChIKey is VPNLSGJJVSQOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-12-3-5-14(6-4-12)22(20,21)10-8-16(19)18-15-11-13(2)7-9-17-15/h3-7,9,11H,8,10H2,1-2H3,(H,17,18,19).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide?
3-(4-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide has a molecular weight of 318.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 4107644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).