N-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide

C16H22N2O3S — CID 71987074

IUPACN-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide
SMILESCCC(CC)(CNC(=O)c1cc2ccccn2c1)S(C)(=O)=O
InChIInChI=1S/C16H22N2O3S/c1-4-16(5-2,22(3,20)21)12-17-15(19)13-10-14-8-6-7-9-18(14)11-13/h6-11H,4-5,12H2,1-3H3,(H,17,19)
InChIKeyZJBZTHKGMYMQIW-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.27
Rot. Bonds6

About N-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide

N-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide (PubChem CID 71987074) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide
PubChem CID71987074
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide
SMILESCCC(CC)(CNC(=O)c1cc2ccccn2c1)S(C)(=O)=O
InChIInChI=1S/C16H22N2O3S/c1-4-16(5-2,22(3,20)21)12-17-15(19)13-10-14-8-6-7-9-18(14)11-13/h6-11H,4-5,12H2,1-3H3,(H,17,19)
InChIKeyZJBZTHKGMYMQIW-UHFFFAOYSA-N
XLogP2.27
TPSA67.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(indolizine-2-carbonylamino)acetate
CID 46845554
3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide
CID 71989278
N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide
CID 46388327
N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide
CID 46388323
1-indolizin-2-ylhexan-1-one
CID 11333386
N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]indolizine-2-carboxamide
CID 97227852
2-[(indolizine-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 91645018
2-(indolizine-2-carbonylamino)-4-methoxybutanoic acid
CID 120702317
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]indolizine-2-carboxamide
CID 122327290
N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide
CID 65113690
N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]indolizine-2-carboxamide
CID 98545792
N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119642980

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide?
The IUPAC name of N-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide (CID 71987074) is N-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide?
The canonical SMILES for N-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide is CCC(CC)(CNC(=O)c1cc2ccccn2c1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide?
The InChIKey is ZJBZTHKGMYMQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-4-16(5-2,22(3,20)21)12-17-15(19)13-10-14-8-6-7-9-18(14)11-13/h6-11H,4-5,12H2,1-3H3,(H,17,19).
What are the key properties of N-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide?
N-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide is sourced from PubChem (CID 71987074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).