methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate

C24H28N2O6S — CID 10552402

IUPACmethyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate
SMILESCOC(=O)C(CC#CCN1CCOCC1)NS(=O)(=O)c1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H28N2O6S/c1-30-21-10-6-19(7-11-21)20-8-12-22(13-9-20)33(28,29)25-23(24(27)31-2)5-3-4-14-26-15-17-32-18-16-26/h6-13,23,25H,5,14-18H2,1-2H3
InChIKeySAVBBICYWOCWHS-UHFFFAOYSA-N
MW472.56 g/mol
LogP1.91
Rot. Bonds8

About methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate

methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate (PubChem CID 10552402) has the molecular formula C24H28N2O6S and a molecular weight of 472.56 g/mol. Its IUPAC name is methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate.

Molecular Properties

Compound Namemethyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate
PubChem CID10552402
Molecular FormulaC24H28N2O6S
Molecular Weight472.56 g/mol
Exact Mass472.17
IUPAC Namemethyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate
SMILESCOC(=O)C(CC#CCN1CCOCC1)NS(=O)(=O)c1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H28N2O6S/c1-30-21-10-6-19(7-11-21)20-8-12-22(13-9-20)33(28,29)25-23(24(27)31-2)5-3-4-14-26-15-17-32-18-16-26/h6-13,23,25H,5,14-18H2,1-2H3
InChIKeySAVBBICYWOCWHS-UHFFFAOYSA-N
XLogP1.91
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate with MolForge

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Related Compounds

methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate
CID 22907030
(2S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-morpholin-4-ylpropanamide
CID 6667385
methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 57153558
methyl 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]pent-4-ynoate
CID 10524866
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 3776760
4-methoxy-N-[1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]benzenesulfonamide
CID 25046566
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
methyl 2-[(4-methoxyphenyl)sulfonylamino]-5-sulfanylpentanoate
CID 57142661
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 6724353
methyl 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]-5-phenylpent-4-ynoate
CID 10552138

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate?
The IUPAC name of methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate (CID 10552402) is methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate.
What is the SMILES notation for methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate?
The canonical SMILES for methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate is COC(=O)C(CC#CCN1CCOCC1)NS(=O)(=O)c1ccc(-c2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate?
The InChIKey is SAVBBICYWOCWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6S/c1-30-21-10-6-19(7-11-21)20-8-12-22(13-9-20)33(28,29)25-23(24(27)31-2)5-3-4-14-26-15-17-32-18-16-26/h6-13,23,25H,5,14-18H2,1-2H3.
What are the key properties of methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate?
methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate has a molecular weight of 472.56 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate is sourced from PubChem (CID 10552402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).