N-(4-methylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide

C19H24N4O3S — CID 4237565

IUPACN-(4-methylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)c2ccc(S(=O)(=O)N3CCCC3)cn2)cc1
InChIInChI=1S/C19H24N4O3S/c1-15-5-7-16(8-6-15)21-19(24)14-22(2)18-10-9-17(13-20-18)27(25,26)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,24)
InChIKeyIBQIFKANSGCFMP-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.25
Rot. Bonds6

About N-(4-methylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide

N-(4-methylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide (PubChem CID 4237565) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
PubChem CID4237565
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-(4-methylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)c2ccc(S(=O)(=O)N3CCCC3)cn2)cc1
InChIInChI=1S/C19H24N4O3S/c1-15-5-7-16(8-6-15)21-19(24)14-22(2)18-10-9-17(13-20-18)27(25,26)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,24)
InChIKeyIBQIFKANSGCFMP-UHFFFAOYSA-N
XLogP2.25
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide (CID 4237565) is N-(4-methylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide is Cc1ccc(NC(=O)CN(C)c2ccc(S(=O)(=O)N3CCCC3)cn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide?
The InChIKey is IBQIFKANSGCFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-15-5-7-16(8-6-15)21-19(24)14-22(2)18-10-9-17(13-20-18)27(25,26)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,24).
What are the key properties of N-(4-methylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide?
N-(4-methylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide has a molecular weight of 388.49 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 4237565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).