2-methylpropyl N-[4-(prop-2-enoylsulfamoyl)phenyl]carbamate

C14H18N2O5S — CID 139716097

IUPAC2-methylpropyl N-[4-(prop-2-enoylsulfamoyl)phenyl]carbamate
SMILESC=CC(=O)NS(=O)(=O)c1ccc(NC(=O)OCC(C)C)cc1
InChIInChI=1S/C14H18N2O5S/c1-4-13(17)16-22(19,20)12-7-5-11(6-8-12)15-14(18)21-9-10(2)3/h4-8,10H,1,9H2,2-3H3,(H,15,18)(H,16,17)
InChIKeyGGNIXSRQQJFZBJ-UHFFFAOYSA-N
MW326.37 g/mol
LogP1.88
Rot. Bonds6

About 2-methylpropyl N-[4-(prop-2-enoylsulfamoyl)phenyl]carbamate

2-methylpropyl N-[4-(prop-2-enoylsulfamoyl)phenyl]carbamate (PubChem CID 139716097) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-methylpropyl N-[4-(prop-2-enoylsulfamoyl)phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-(prop-2-enoylsulfamoyl)phenyl]carbamate
PubChem CID139716097
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name2-methylpropyl N-[4-(prop-2-enoylsulfamoyl)phenyl]carbamate
SMILESC=CC(=O)NS(=O)(=O)c1ccc(NC(=O)OCC(C)C)cc1
InChIInChI=1S/C14H18N2O5S/c1-4-13(17)16-22(19,20)12-7-5-11(6-8-12)15-14(18)21-9-10(2)3/h4-8,10H,1,9H2,2-3H3,(H,15,18)(H,16,17)
InChIKeyGGNIXSRQQJFZBJ-UHFFFAOYSA-N
XLogP1.88
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
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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CID 18934427
2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
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2-methylpropyl N-[4-(2-amino-2-sulfanylideneethyl)phenyl]carbamate
CID 62302077
ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate
CID 110778736
propyl 4-(2-methylpropoxycarbonylamino)benzoate
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[4-(2-methylpropoxycarbonylamino)phenyl] propan-2-yl carbonate
CID 150585771
N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide
CID 43616637
N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide
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N-[4-(4-propan-2-ylphenyl)sulfonylphenyl]prop-2-enamide
CID 138531780
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
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2-methylpropyl N-[4-[1-(propylamino)ethyl]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-(prop-2-enoylsulfamoyl)phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-(prop-2-enoylsulfamoyl)phenyl]carbamate (CID 139716097) is 2-methylpropyl N-[4-(prop-2-enoylsulfamoyl)phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-(prop-2-enoylsulfamoyl)phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-(prop-2-enoylsulfamoyl)phenyl]carbamate is C=CC(=O)NS(=O)(=O)c1ccc(NC(=O)OCC(C)C)cc1.
What is the InChIKey of 2-methylpropyl N-[4-(prop-2-enoylsulfamoyl)phenyl]carbamate?
The InChIKey is GGNIXSRQQJFZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-4-13(17)16-22(19,20)12-7-5-11(6-8-12)15-14(18)21-9-10(2)3/h4-8,10H,1,9H2,2-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-methylpropyl N-[4-(prop-2-enoylsulfamoyl)phenyl]carbamate?
2-methylpropyl N-[4-(prop-2-enoylsulfamoyl)phenyl]carbamate has a molecular weight of 326.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-(prop-2-enoylsulfamoyl)phenyl]carbamate is sourced from PubChem (CID 139716097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).