tert-butyl N-[4-[2-[2-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbamate

C32H36N2O6S — CID 67237983

IUPACtert-butyl N-[4-[2-[2-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbamate
SMILESCOc1cc(C=Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1C=Cc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C32H36N2O6S/c1-32(2,3)40-31(35)33-28-15-9-25(10-16-28)7-13-27-14-8-26(23-30(27)38-4)6-5-24-11-17-29(18-12-24)41(36,37)34-19-21-39-22-20-34/h5-18,23H,19-22H2,1-4H3,(H,33,35)
InChIKeyHKQFGJYXERUSKN-UHFFFAOYSA-N
MW576.72 g/mol
LogP6.40
Rot. Bonds8

About tert-butyl N-[4-[2-[2-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbamate

tert-butyl N-[4-[2-[2-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbamate (PubChem CID 67237983) has the molecular formula C32H36N2O6S and a molecular weight of 576.72 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[2-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[2-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbamate
PubChem CID67237983
Molecular FormulaC32H36N2O6S
Molecular Weight576.72 g/mol
Exact Mass576.23
IUPAC Nametert-butyl N-[4-[2-[2-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbamate
SMILESCOc1cc(C=Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1C=Cc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C32H36N2O6S/c1-32(2,3)40-31(35)33-28-15-9-25(10-16-28)7-13-27-14-8-26(23-30(27)38-4)6-5-24-11-17-29(18-12-24)41(36,37)34-19-21-39-22-20-34/h5-18,23H,19-22H2,1-4H3,(H,33,35)
InChIKeyHKQFGJYXERUSKN-UHFFFAOYSA-N
XLogP6.40
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.72
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-[2-[2-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbamate with MolForge

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Related Compounds

methyl 4-[2-[3-methoxy-4-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethenyl]phenyl]ethenyl]benzoate
CID 140557843
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 2330677
(E)-N-(4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2664919
N-(4-bromophenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3361660
(E)-N-(4-bromophenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2704846
N-(4-acetylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 4853468
3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 5188502
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 42967732
tert-butyl N-[(E)-3-fluoro-2-[(4-morpholin-4-ylsulfonylanilino)methyl]prop-2-enyl]carbamate
CID 175004372
(E)-3-(3,4-dimethoxyphenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6089454
3-[4-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4533150
(E)-3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 55342789

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[2-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-[2-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbamate (CID 67237983) is tert-butyl N-[4-[2-[2-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[2-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-[2-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbamate is COc1cc(C=Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1C=Cc1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[2-[2-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbamate?
The InChIKey is HKQFGJYXERUSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O6S/c1-32(2,3)40-31(35)33-28-15-9-25(10-16-28)7-13-27-14-8-26(23-30(27)38-4)6-5-24-11-17-29(18-12-24)41(36,37)34-19-21-39-22-20-34/h5-18,23H,19-22H2,1-4H3,(H,33,35).
What are the key properties of tert-butyl N-[4-[2-[2-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbamate?
tert-butyl N-[4-[2-[2-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbamate has a molecular weight of 576.72 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[2-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)ethenyl]phenyl]ethenyl]phenyl]carbamate is sourced from PubChem (CID 67237983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).