3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide

C24H32N4O5S — CID 46333530

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC3CCCO3)ccc2N2CCNCC2)cc1
InChIInChI=1S/C24H32N4O5S/c1-2-32-19-6-8-21(9-7-19)34(30,31)27-22-16-18(24(29)26-17-20-4-3-15-33-20)5-10-23(22)28-13-11-25-12-14-28/h5-10,16,20,25,27H,2-4,11-15,17H2,1H3,(H,26,29)
InChIKeyMDDQUHPDNACPRP-UHFFFAOYSA-N
MW488.61 g/mol
LogP2.20
Rot. Bonds9

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide (PubChem CID 46333530) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide
PubChem CID46333530
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC3CCCO3)ccc2N2CCNCC2)cc1
InChIInChI=1S/C24H32N4O5S/c1-2-32-19-6-8-21(9-7-19)34(30,31)27-22-16-18(24(29)26-17-20-4-3-15-33-20)5-10-23(22)28-13-11-25-12-14-28/h5-10,16,20,25,27H,2-4,11-15,17H2,1H3,(H,26,29)
InChIKeyMDDQUHPDNACPRP-UHFFFAOYSA-N
XLogP2.20
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3-chloro-4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-piperazin-1-ylbenzamide
CID 92872241
3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide
CID 46333521
N-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 46333531
3-[(3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059230
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059449
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354
2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1327378
N-benzyl-3-[(4-ethoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059306
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
3-[(4-ethoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767046
N-cyclopentyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333755
N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-5-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46379625

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide (CID 46333530) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide is CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC3CCCO3)ccc2N2CCNCC2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide?
The InChIKey is MDDQUHPDNACPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5S/c1-2-32-19-6-8-21(9-7-19)34(30,31)27-22-16-18(24(29)26-17-20-4-3-15-33-20)5-10-23(22)28-13-11-25-12-14-28/h5-10,16,20,25,27H,2-4,11-15,17H2,1H3,(H,26,29).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide has a molecular weight of 488.61 g/mol, XLogP of 2.20, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 46333530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).