N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

C19H21BrN4O4S — CID 55977403

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCc2cn3cc(Br)ccc3n2)cc1
InChIInChI=1S/C19H21BrN4O4S/c1-2-28-16-4-6-17(7-5-16)29(26,27)22-10-9-19(25)21-11-15-13-24-12-14(20)3-8-18(24)23-15/h3-8,12-13,22H,2,9-11H2,1H3,(H,21,25)
InChIKeyFFPTXVDDMGJOHF-UHFFFAOYSA-N
MW481.37 g/mol
LogP2.48
Rot. Bonds9

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (PubChem CID 55977403) has the molecular formula C19H21BrN4O4S and a molecular weight of 481.37 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
PubChem CID55977403
Molecular FormulaC19H21BrN4O4S
Molecular Weight481.37 g/mol
Exact Mass480.05
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCc2cn3cc(Br)ccc3n2)cc1
InChIInChI=1S/C19H21BrN4O4S/c1-2-28-16-4-6-17(7-5-16)29(26,27)22-10-9-19(25)21-11-15-13-24-12-14(20)3-8-18(24)23-15/h3-8,12-13,22H,2,9-11H2,1H3,(H,21,25)
InChIKeyFFPTXVDDMGJOHF-UHFFFAOYSA-N
XLogP2.48
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47343482
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 27514876
N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 119408093
4-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzenesulfonamide
CID 23603672
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573109
N-[2-(2,6-dimethylphenoxy)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55724577
N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide
CID 55977015
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653177
3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide
CID 32636101
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 55975623
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (CID 55977403) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2cn3cc(Br)ccc3n2)cc1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is FFPTXVDDMGJOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O4S/c1-2-28-16-4-6-17(7-5-16)29(26,27)22-10-9-19(25)21-11-15-13-24-12-14(20)3-8-18(24)23-15/h3-8,12-13,22H,2,9-11H2,1H3,(H,21,25).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 481.37 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55977403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).