N-cyclopentyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide

C20H25N3O4S — CID 53161474

IUPACN-cyclopentyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NC3CCCC3)c2=O)cc1
InChIInChI=1S/C20H25N3O4S/c1-14-7-10-17(11-8-14)28(26,27)22-18-12-9-15(2)23(20(18)25)13-19(24)21-16-5-3-4-6-16/h7-12,16,22H,3-6,13H2,1-2H3,(H,21,24)
InChIKeyBPHBLMKRCKGICF-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.32
Rot. Bonds6

About N-cyclopentyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide

N-cyclopentyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide (PubChem CID 53161474) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
PubChem CID53161474
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-cyclopentyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NC3CCCC3)c2=O)cc1
InChIInChI=1S/C20H25N3O4S/c1-14-7-10-17(11-8-14)28(26,27)22-18-12-9-15(2)23(20(18)25)13-19(24)21-16-5-3-4-6-16/h7-12,16,22H,3-6,13H2,1-2H3,(H,21,24)
InChIKeyBPHBLMKRCKGICF-UHFFFAOYSA-N
XLogP2.32
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide (CID 53161474) is N-cyclopentyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NC3CCCC3)c2=O)cc1.
What is the InChIKey of N-cyclopentyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is BPHBLMKRCKGICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14-7-10-17(11-8-14)28(26,27)22-18-12-9-15(2)23(20(18)25)13-19(24)21-16-5-3-4-6-16/h7-12,16,22H,3-6,13H2,1-2H3,(H,21,24).
What are the key properties of N-cyclopentyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
N-cyclopentyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 403.50 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 53161474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).