tert-butyl N-[1-[(3-acetylphenyl)sulfonylamino]-2-methylpropan-2-yl]carbamate

C17H26N2O5S — CID 110669033

IUPACtert-butyl N-[1-[(3-acetylphenyl)sulfonylamino]-2-methylpropan-2-yl]carbamate
SMILESCC(=O)c1cccc(S(=O)(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H26N2O5S/c1-12(20)13-8-7-9-14(10-13)25(22,23)18-11-17(5,6)19-15(21)24-16(2,3)4/h7-10,18H,11H2,1-6H3,(H,19,21)
InChIKeyUOIMHQLYGULONP-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.47
Rot. Bonds6

About tert-butyl N-[1-[(3-acetylphenyl)sulfonylamino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[(3-acetylphenyl)sulfonylamino]-2-methylpropan-2-yl]carbamate (PubChem CID 110669033) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is tert-butyl N-[1-[(3-acetylphenyl)sulfonylamino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3-acetylphenyl)sulfonylamino]-2-methylpropan-2-yl]carbamate
PubChem CID110669033
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Nametert-butyl N-[1-[(3-acetylphenyl)sulfonylamino]-2-methylpropan-2-yl]carbamate
SMILESCC(=O)c1cccc(S(=O)(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H26N2O5S/c1-12(20)13-8-7-9-14(10-13)25(22,23)18-11-17(5,6)19-15(21)24-16(2,3)4/h7-10,18H,11H2,1-6H3,(H,19,21)
InChIKeyUOIMHQLYGULONP-UHFFFAOYSA-N
XLogP2.47
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-acetyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
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3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
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methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate
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3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
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tert-butyl 3-(2-aminoethylsulfamoyl)benzoate
CID 167725813
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
[2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate
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3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide
CID 115638669

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3-acetylphenyl)sulfonylamino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3-acetylphenyl)sulfonylamino]-2-methylpropan-2-yl]carbamate (CID 110669033) is tert-butyl N-[1-[(3-acetylphenyl)sulfonylamino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3-acetylphenyl)sulfonylamino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3-acetylphenyl)sulfonylamino]-2-methylpropan-2-yl]carbamate is CC(=O)c1cccc(S(=O)(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[1-[(3-acetylphenyl)sulfonylamino]-2-methylpropan-2-yl]carbamate?
The InChIKey is UOIMHQLYGULONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-12(20)13-8-7-9-14(10-13)25(22,23)18-11-17(5,6)19-15(21)24-16(2,3)4/h7-10,18H,11H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-[1-[(3-acetylphenyl)sulfonylamino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[(3-acetylphenyl)sulfonylamino]-2-methylpropan-2-yl]carbamate has a molecular weight of 370.47 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3-acetylphenyl)sulfonylamino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 110669033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).