N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide

C17H25N3O4S — CID 55374541

IUPACN-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CCCO3)c2)CC1
InChIInChI=1S/C17H25N3O4S/c1-2-19-8-10-20(11-9-19)25(22,23)15-6-3-5-14(13-15)18-17(21)16-7-4-12-24-16/h3,5-6,13,16H,2,4,7-12H2,1H3,(H,18,21)
InChIKeyCNSWTWGMZPVHMQ-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.13
Rot. Bonds5

About N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide

N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide (PubChem CID 55374541) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide
PubChem CID55374541
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CCCO3)c2)CC1
InChIInChI=1S/C17H25N3O4S/c1-2-19-8-10-20(11-9-19)25(22,23)15-6-3-5-14(13-15)18-17(21)16-7-4-12-24-16/h3,5-6,13,16H,2,4,7-12H2,1H3,(H,18,21)
InChIKeyCNSWTWGMZPVHMQ-UHFFFAOYSA-N
XLogP1.13
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide
CID 3164147
(2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120639924
(2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 8961578
N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049727
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119830904
(2S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55943395
(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide
CID 94118926
(2R)-N-(4-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 975970
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride
CID 119946153
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 55910713

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide (CID 55374541) is N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide is CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CCCO3)c2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide?
The InChIKey is CNSWTWGMZPVHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-2-19-8-10-20(11-9-19)25(22,23)15-6-3-5-14(13-15)18-17(21)16-7-4-12-24-16/h3,5-6,13,16H,2,4,7-12H2,1H3,(H,18,21).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55374541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).