methyl 2-[(4-methoxyphenyl)sulfonyl-[[2-(morpholine-4-carbonylamino)phenyl]methyl]amino]prop-2-enoate

C23H27N3O7S — CID 56997557

IUPACmethyl 2-[(4-methoxyphenyl)sulfonyl-[[2-(morpholine-4-carbonylamino)phenyl]methyl]amino]prop-2-enoate
SMILESC=C(C(=O)OC)N(Cc1ccccc1NC(=O)N1CCOCC1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H27N3O7S/c1-17(22(27)32-3)26(34(29,30)20-10-8-19(31-2)9-11-20)16-18-6-4-5-7-21(18)24-23(28)25-12-14-33-15-13-25/h4-11H,1,12-16H2,2-3H3,(H,24,28)
InChIKeyHNGZPCUCZVDHTG-UHFFFAOYSA-N
MW489.55 g/mol
LogP2.44
Rot. Bonds8

About methyl 2-[(4-methoxyphenyl)sulfonyl-[[2-(morpholine-4-carbonylamino)phenyl]methyl]amino]prop-2-enoate

methyl 2-[(4-methoxyphenyl)sulfonyl-[[2-(morpholine-4-carbonylamino)phenyl]methyl]amino]prop-2-enoate (PubChem CID 56997557) has the molecular formula C23H27N3O7S and a molecular weight of 489.55 g/mol. Its IUPAC name is methyl 2-[(4-methoxyphenyl)sulfonyl-[[2-(morpholine-4-carbonylamino)phenyl]methyl]amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxyphenyl)sulfonyl-[[2-(morpholine-4-carbonylamino)phenyl]methyl]amino]prop-2-enoate
PubChem CID56997557
Molecular FormulaC23H27N3O7S
Molecular Weight489.55 g/mol
Exact Mass489.16
IUPAC Namemethyl 2-[(4-methoxyphenyl)sulfonyl-[[2-(morpholine-4-carbonylamino)phenyl]methyl]amino]prop-2-enoate
SMILESC=C(C(=O)OC)N(Cc1ccccc1NC(=O)N1CCOCC1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H27N3O7S/c1-17(22(27)32-3)26(34(29,30)20-10-8-19(31-2)9-11-20)16-18-6-4-5-7-21(18)24-23(28)25-12-14-33-15-13-25/h4-11H,1,12-16H2,2-3H3,(H,24,28)
InChIKeyHNGZPCUCZVDHTG-UHFFFAOYSA-N
XLogP2.44
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[2-[(2-acetamidoacetyl)amino]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]prop-2-enoate
CID 18612963
N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6467053
methyl 2-[(2-benzamido-5-methylphenyl)methyl-(4-methoxyphenyl)sulfonylamino]prop-2-enoate
CID 18612720
N-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide
CID 122141595
4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834
N-(2-chloro-5-methoxyphenyl)morpholine-4-carboxamide
CID 47421313
N-(2-fluoro-5-methoxyphenyl)morpholine-4-carboxamide
CID 115687771
N-(2-methoxy-5-sulfamoylphenyl)morpholine-4-carboxamide
CID 78994050
N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
CID 2874961
(3R)-2-(4-methoxyphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2362497

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxyphenyl)sulfonyl-[[2-(morpholine-4-carbonylamino)phenyl]methyl]amino]prop-2-enoate?
The IUPAC name of methyl 2-[(4-methoxyphenyl)sulfonyl-[[2-(morpholine-4-carbonylamino)phenyl]methyl]amino]prop-2-enoate (CID 56997557) is methyl 2-[(4-methoxyphenyl)sulfonyl-[[2-(morpholine-4-carbonylamino)phenyl]methyl]amino]prop-2-enoate.
What is the SMILES notation for methyl 2-[(4-methoxyphenyl)sulfonyl-[[2-(morpholine-4-carbonylamino)phenyl]methyl]amino]prop-2-enoate?
The canonical SMILES for methyl 2-[(4-methoxyphenyl)sulfonyl-[[2-(morpholine-4-carbonylamino)phenyl]methyl]amino]prop-2-enoate is C=C(C(=O)OC)N(Cc1ccccc1NC(=O)N1CCOCC1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(4-methoxyphenyl)sulfonyl-[[2-(morpholine-4-carbonylamino)phenyl]methyl]amino]prop-2-enoate?
The InChIKey is HNGZPCUCZVDHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O7S/c1-17(22(27)32-3)26(34(29,30)20-10-8-19(31-2)9-11-20)16-18-6-4-5-7-21(18)24-23(28)25-12-14-33-15-13-25/h4-11H,1,12-16H2,2-3H3,(H,24,28).
What are the key properties of methyl 2-[(4-methoxyphenyl)sulfonyl-[[2-(morpholine-4-carbonylamino)phenyl]methyl]amino]prop-2-enoate?
methyl 2-[(4-methoxyphenyl)sulfonyl-[[2-(morpholine-4-carbonylamino)phenyl]methyl]amino]prop-2-enoate has a molecular weight of 489.55 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxyphenyl)sulfonyl-[[2-(morpholine-4-carbonylamino)phenyl]methyl]amino]prop-2-enoate is sourced from PubChem (CID 56997557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).