2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide

C17H21N3O4S — CID 2988175

IUPAC2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccncc2)cc1C
InChIInChI=1S/C17H21N3O4S/c1-12-10-15(4-5-16(12)24-3)25(22,23)20-13(2)17(21)19-11-14-6-8-18-9-7-14/h4-10,13,20H,11H2,1-3H3,(H,19,21)
InChIKeyZKACVYFBPIPZCT-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.38
Rot. Bonds7

About 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide

2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 2988175) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID2988175
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccncc2)cc1C
InChIInChI=1S/C17H21N3O4S/c1-12-10-15(4-5-16(12)24-3)25(22,23)20-13(2)17(21)19-11-14-6-8-18-9-7-14/h4-10,13,20H,11H2,1-3H3,(H,19,21)
InChIKeyZKACVYFBPIPZCT-UHFFFAOYSA-N
XLogP1.38
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide (CID 2988175) is 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide is COc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccncc2)cc1C.
What is the InChIKey of 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is ZKACVYFBPIPZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-12-10-15(4-5-16(12)24-3)25(22,23)20-13(2)17(21)19-11-14-6-8-18-9-7-14/h4-10,13,20H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide?
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 363.44 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 2988175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).