2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide

C22H19N3O2S — CID 18576392

IUPAC2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide
SMILESCc1ccc(NC(=O)c2c(N)c(C(=O)c3cccs3)n3ccccc23)c(C)c1
InChIInChI=1S/C22H19N3O2S/c1-13-8-9-15(14(2)12-13)24-22(27)18-16-6-3-4-10-25(16)20(19(18)23)21(26)17-7-5-11-28-17/h3-12H,23H2,1-2H3,(H,24,27)
InChIKeyVOTCVCNKECIUTF-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.68
Rot. Bonds4

About 2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide

2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide (PubChem CID 18576392) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide
PubChem CID18576392
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide
SMILESCc1ccc(NC(=O)c2c(N)c(C(=O)c3cccs3)n3ccccc23)c(C)c1
InChIInChI=1S/C22H19N3O2S/c1-13-8-9-15(14(2)12-13)24-22(27)18-16-6-3-4-10-25(16)20(19(18)23)21(26)17-7-5-11-28-17/h3-12H,23H2,1-2H3,(H,24,27)
InChIKeyVOTCVCNKECIUTF-UHFFFAOYSA-N
XLogP4.68
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide
CID 18576382
2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide
CID 18576502
2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde
CID 2121152
2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide
CID 16955655
N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 9342786
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
1-N-(2,4-dimethylphenyl)-3-N-(2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071890
N-(2,4-dimethylphenyl)-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylacetamide
CID 7979282
3-methyl-4-(thiophene-2-carbonylamino)benzoate
CID 6978677
N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 9324132
(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922914
1-N-(2,4-dimethylphenyl)-3-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071966

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide?
The IUPAC name of 2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide (CID 18576392) is 2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide?
The canonical SMILES for 2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide is Cc1ccc(NC(=O)c2c(N)c(C(=O)c3cccs3)n3ccccc23)c(C)c1.
What is the InChIKey of 2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide?
The InChIKey is VOTCVCNKECIUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-13-8-9-15(14(2)12-13)24-22(27)18-16-6-3-4-10-25(16)20(19(18)23)21(26)17-7-5-11-28-17/h3-12H,23H2,1-2H3,(H,24,27).
What are the key properties of 2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide?
2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide is sourced from PubChem (CID 18576392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).