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N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide

C18H22N4O4S — CID 113139844

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN(Cc2ccccn2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N4O4S/c1-14(23)20-15-7-5-8-16(12-15)21-18(24)9-11-22(27(2,25)26)13-17-6-3-4-10-19-17/h3-8,10,12H,9,11,13H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQRHUIRVRIWWQDD-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.83
Rot. Bonds8

About N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide

N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide (PubChem CID 113139844) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
PubChem CID113139844
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN(Cc2ccccn2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N4O4S/c1-14(23)20-15-7-5-8-16(12-15)21-18(24)9-11-22(27(2,25)26)13-17-6-3-4-10-19-17/h3-8,10,12H,9,11,13H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQRHUIRVRIWWQDD-UHFFFAOYSA-N
XLogP1.83
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide (CID 113139844) is N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide is CC(=O)Nc1cccc(NC(=O)CCN(Cc2ccccn2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide?
The InChIKey is QRHUIRVRIWWQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-14(23)20-15-7-5-8-16(12-15)21-18(24)9-11-22(27(2,25)26)13-17-6-3-4-10-19-17/h3-8,10,12H,9,11,13H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide?
N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide has a molecular weight of 390.47 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 113139844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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