4-methyl-N-[(E,2R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pent-3-en-2-yl]benzenesulfonamide

C18H24N2O5S — CID 10992538

IUPAC4-methyl-N-[(E,2R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pent-3-en-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)/C=C/C(=O)N2C(=O)OC[C@@H]2C(C)C)cc1
InChIInChI=1S/C18H24N2O5S/c1-12(2)16-11-25-18(22)20(16)17(21)10-7-14(4)19-26(23,24)15-8-5-13(3)6-9-15/h5-10,12,14,16,19H,11H2,1-4H3/b10-7+/t14-,16-/m1/s1
InChIKeyFFIUVFJEAWMTFY-GZSUAUOCSA-N
MW380.47 g/mol
LogP2.22
Rot. Bonds6

About 4-methyl-N-[(E,2R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pent-3-en-2-yl]benzenesulfonamide

4-methyl-N-[(E,2R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pent-3-en-2-yl]benzenesulfonamide (PubChem CID 10992538) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-methyl-N-[(E,2R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pent-3-en-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E,2R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pent-3-en-2-yl]benzenesulfonamide
PubChem CID10992538
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name4-methyl-N-[(E,2R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pent-3-en-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)/C=C/C(=O)N2C(=O)OC[C@@H]2C(C)C)cc1
InChIInChI=1S/C18H24N2O5S/c1-12(2)16-11-25-18(22)20(16)17(21)10-7-14(4)19-26(23,24)15-8-5-13(3)6-9-15/h5-10,12,14,16,19H,11H2,1-4H3/b10-7+/t14-,16-/m1/s1
InChIKeyFFIUVFJEAWMTFY-GZSUAUOCSA-N
XLogP2.22
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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N-(4-methylcyclohexyl)-4-(trifluoromethyl)benzenesulfonamide;2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbaldehyde
CID 144195464
4-[(E)-hept-1-enyl]-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
CID 71608489
3-methoxy-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-2H-pyrrol-5-one
CID 134867147
(4S,5S)-5-methyl-4-[(4E)-3-methylhexa-1,4-dien-2-yl]-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
CID 134900504
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 6011004
(E)-N-(1-hydroxybutan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6298784
4-[(E)-3-(2,6-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-N-methylbenzenesulfonamide
CID 53513346
3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide
CID 71847425
N-Methyl-N-[4-[2-oxo-3-oxazolidinyl]butyl]-p-toluenesulfonamide
CID 598642
N-Tosyl-dl-3,4-dehydroprolylglycine, ethyl ester
CID 613676
4-[(2E)-hexa-2,5-dien-3-yl]-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
CID 9996187

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E,2R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pent-3-en-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E,2R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pent-3-en-2-yl]benzenesulfonamide (CID 10992538) is 4-methyl-N-[(E,2R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pent-3-en-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E,2R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pent-3-en-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E,2R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pent-3-en-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](C)/C=C/C(=O)N2C(=O)OC[C@@H]2C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[(E,2R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pent-3-en-2-yl]benzenesulfonamide?
The InChIKey is FFIUVFJEAWMTFY-GZSUAUOCSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-12(2)16-11-25-18(22)20(16)17(21)10-7-14(4)19-26(23,24)15-8-5-13(3)6-9-15/h5-10,12,14,16,19H,11H2,1-4H3/b10-7+/t14-,16-/m1/s1.
What are the key properties of 4-methyl-N-[(E,2R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pent-3-en-2-yl]benzenesulfonamide?
4-methyl-N-[(E,2R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pent-3-en-2-yl]benzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E,2R)-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pent-3-en-2-yl]benzenesulfonamide is sourced from PubChem (CID 10992538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).