N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C22H28N4O4S — CID 55977651

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCCN(CCCNC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1)S(C)(=O)=O
InChIInChI=1S/C22H28N4O4S/c1-4-26(31(3,28)29)12-6-11-23-22(27)18-7-5-8-20(13-18)30-16-19-15-25-14-17(2)9-10-21(25)24-19/h5,7-10,13-15H,4,6,11-12,16H2,1-3H3,(H,23,27)
InChIKeyUOZSRGUTXIZTNY-UHFFFAOYSA-N
MW444.56 g/mol
LogP2.62
Rot. Bonds10

About N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 55977651) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
PubChem CID55977651
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCCN(CCCNC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1)S(C)(=O)=O
InChIInChI=1S/C22H28N4O4S/c1-4-26(31(3,28)29)12-6-11-23-22(27)18-7-5-8-20(13-18)30-16-19-15-25-14-17(2)9-10-21(25)24-19/h5,7-10,13-15H,4,6,11-12,16H2,1-3H3,(H,23,27)
InChIKeyUOZSRGUTXIZTNY-UHFFFAOYSA-N
XLogP2.62
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 55977651) is N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is CCN(CCCNC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The InChIKey is UOZSRGUTXIZTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-4-26(31(3,28)29)12-6-11-23-22(27)18-7-5-8-20(13-18)30-16-19-15-25-14-17(2)9-10-21(25)24-19/h5,7-10,13-15H,4,6,11-12,16H2,1-3H3,(H,23,27).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 444.56 g/mol, XLogP of 2.62, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 55977651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).