3-(4-methoxy-N-methylanilino)-N-(thiophen-3-ylmethyl)indolizine-6-carboxamide

C22H21N3O2S — CID 97441752

IUPAC3-(4-methoxy-N-methylanilino)-N-(thiophen-3-ylmethyl)indolizine-6-carboxamide
SMILESCOc1ccc(N(C)c2ccc3ccc(C(=O)NCc4ccsc4)cn23)cc1
InChIInChI=1S/C22H21N3O2S/c1-24(18-5-8-20(27-2)9-6-18)21-10-7-19-4-3-17(14-25(19)21)22(26)23-13-16-11-12-28-15-16/h3-12,14-15H,13H2,1-2H3,(H,23,26)
InChIKeyAONGFDUPYLGSRK-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.71
Rot. Bonds6

About 3-(4-methoxy-N-methylanilino)-N-(thiophen-3-ylmethyl)indolizine-6-carboxamide

3-(4-methoxy-N-methylanilino)-N-(thiophen-3-ylmethyl)indolizine-6-carboxamide (PubChem CID 97441752) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 3-(4-methoxy-N-methylanilino)-N-(thiophen-3-ylmethyl)indolizine-6-carboxamide.

Molecular Properties

Compound Name3-(4-methoxy-N-methylanilino)-N-(thiophen-3-ylmethyl)indolizine-6-carboxamide
PubChem CID97441752
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name3-(4-methoxy-N-methylanilino)-N-(thiophen-3-ylmethyl)indolizine-6-carboxamide
SMILESCOc1ccc(N(C)c2ccc3ccc(C(=O)NCc4ccsc4)cn23)cc1
InChIInChI=1S/C22H21N3O2S/c1-24(18-5-8-20(27-2)9-6-18)21-10-7-19-4-3-17(14-25(19)21)22(26)23-13-16-11-12-28-15-16/h3-12,14-15H,13H2,1-2H3,(H,23,26)
InChIKeyAONGFDUPYLGSRK-UHFFFAOYSA-N
XLogP4.71
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxy-N-methylanilino)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide
CID 97441738
3-[2-methoxyethyl(methyl)amino]-N-(4-methoxyphenyl)indolizine-6-carboxamide
CID 97407085
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(thiophen-3-ylmethyl)benzamide
CID 42691501
3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 81302164
methyl 2-oxo-2-(thiophen-3-ylmethylamino)acetate
CID 112617233
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111181367
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 63244733
3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 63244337
3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide
CID 81091317
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612517

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-N-methylanilino)-N-(thiophen-3-ylmethyl)indolizine-6-carboxamide?
The IUPAC name of 3-(4-methoxy-N-methylanilino)-N-(thiophen-3-ylmethyl)indolizine-6-carboxamide (CID 97441752) is 3-(4-methoxy-N-methylanilino)-N-(thiophen-3-ylmethyl)indolizine-6-carboxamide.
What is the SMILES notation for 3-(4-methoxy-N-methylanilino)-N-(thiophen-3-ylmethyl)indolizine-6-carboxamide?
The canonical SMILES for 3-(4-methoxy-N-methylanilino)-N-(thiophen-3-ylmethyl)indolizine-6-carboxamide is COc1ccc(N(C)c2ccc3ccc(C(=O)NCc4ccsc4)cn23)cc1.
What is the InChIKey of 3-(4-methoxy-N-methylanilino)-N-(thiophen-3-ylmethyl)indolizine-6-carboxamide?
The InChIKey is AONGFDUPYLGSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-24(18-5-8-20(27-2)9-6-18)21-10-7-19-4-3-17(14-25(19)21)22(26)23-13-16-11-12-28-15-16/h3-12,14-15H,13H2,1-2H3,(H,23,26).
What are the key properties of 3-(4-methoxy-N-methylanilino)-N-(thiophen-3-ylmethyl)indolizine-6-carboxamide?
3-(4-methoxy-N-methylanilino)-N-(thiophen-3-ylmethyl)indolizine-6-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-N-methylanilino)-N-(thiophen-3-ylmethyl)indolizine-6-carboxamide is sourced from PubChem (CID 97441752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).