3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide

C22H26N4O3S — CID 97362437

IUPAC3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4ccccc4)cn23)CC1
InChIInChI=1S/C22H26N4O3S/c1-30(28,29)25-15-13-24(14-16-25)21-10-9-20-8-7-19(17-26(20)21)22(27)23-12-11-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,23,27)
InChIKeyBXSNGBYEVJZFRW-UHFFFAOYSA-N
MW426.54 g/mol
LogP1.99
Rot. Bonds6

About 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide

3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide (PubChem CID 97362437) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide.

Molecular Properties

Compound Name3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide
PubChem CID97362437
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4ccccc4)cn23)CC1
InChIInChI=1S/C22H26N4O3S/c1-30(28,29)25-15-13-24(14-16-25)21-10-9-20-8-7-19(17-26(20)21)22(27)23-12-11-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,23,27)
InChIKeyBXSNGBYEVJZFRW-UHFFFAOYSA-N
XLogP1.99
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-acetylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide
CID 97447966
N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide
CID 97448060
3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide
CID 97447981
N-[2-(3-fluorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)indolizine-6-carboxamide
CID 97441664
N-(3-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide
CID 97448077
3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide
CID 97447978
3-(4-propan-2-ylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide
CID 97448096
3-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide
CID 97407087
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide
CID 97447891
3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide
CID 97447967
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide?
The IUPAC name of 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide (CID 97362437) is 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide.
What is the SMILES notation for 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide?
The canonical SMILES for 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide is CS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4ccccc4)cn23)CC1.
What is the InChIKey of 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide?
The InChIKey is BXSNGBYEVJZFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-30(28,29)25-15-13-24(14-16-25)21-10-9-20-8-7-19(17-26(20)21)22(27)23-12-11-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,23,27).
What are the key properties of 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide?
3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide is sourced from PubChem (CID 97362437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).