N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide

C22H24N2O6S — CID 3164147

IUPACN-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)C3CCCO3)c2)c1)C1CCCO1
InChIInChI=1S/C22H24N2O6S/c25-21(19-9-3-11-29-19)23-15-5-1-7-17(13-15)31(27,28)18-8-2-6-16(14-18)24-22(26)20-10-4-12-30-20/h1-2,5-8,13-14,19-20H,3-4,9-12H2,(H,23,25)(H,24,26)
InChIKeySSNLAAFOOCTZLD-UHFFFAOYSA-N
MW444.51 g/mol
LogP2.75
Rot. Bonds6

About N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide

N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide (PubChem CID 3164147) has the molecular formula C22H24N2O6S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide
PubChem CID3164147
Molecular FormulaC22H24N2O6S
Molecular Weight444.51 g/mol
Exact Mass444.14
IUPAC NameN-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)C3CCCO3)c2)c1)C1CCCO1
InChIInChI=1S/C22H24N2O6S/c25-21(19-9-3-11-29-19)23-15-5-1-7-17(13-15)31(27,28)18-8-2-6-16(14-18)24-22(26)20-10-4-12-30-20/h1-2,5-8,13-14,19-20H,3-4,9-12H2,(H,23,25)(H,24,26)
InChIKeySSNLAAFOOCTZLD-UHFFFAOYSA-N
XLogP2.75
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 8961578
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
N-(3-iodophenyl)oxolane-2-carboxamide
CID 42904469
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-phenyloxolane-2-carboxamide
CID 3453643
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide
CID 55374541
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825
(2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide
CID 38405594

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide (CID 3164147) is N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide is O=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)C3CCCO3)c2)c1)C1CCCO1.
What is the InChIKey of N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide?
The InChIKey is SSNLAAFOOCTZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S/c25-21(19-9-3-11-29-19)23-15-5-1-7-17(13-15)31(27,28)18-8-2-6-16(14-18)24-22(26)20-10-4-12-30-20/h1-2,5-8,13-14,19-20H,3-4,9-12H2,(H,23,25)(H,24,26).
What are the key properties of N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide?
N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide is sourced from PubChem (CID 3164147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).