tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate

C16H25N3O6S — CID 22108264

IUPACtert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate
SMILESCOc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C16H25N3O6S/c1-10(2)19-26(22,23)13-9-11(7-8-12(13)24-6)14(20)17-18-15(21)25-16(3,4)5/h7-10,19H,1-6H3,(H,17,20)(H,18,21)
InChIKeyXNDQTIHPPPXWDW-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.55
Rot. Bonds5

About tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate

tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate (PubChem CID 22108264) has the molecular formula C16H25N3O6S and a molecular weight of 387.46 g/mol. Its IUPAC name is tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate
PubChem CID22108264
Molecular FormulaC16H25N3O6S
Molecular Weight387.46 g/mol
Exact Mass387.15
IUPAC Nametert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate
SMILESCOc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C16H25N3O6S/c1-10(2)19-26(22,23)13-9-11(7-8-12(13)24-6)14(20)17-18-15(21)25-16(3,4)5/h7-10,19H,1-6H3,(H,17,20)(H,18,21)
InChIKeyXNDQTIHPPPXWDW-UHFFFAOYSA-N
XLogP1.55
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676
4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
CID 39736994
2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 27663032
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119419366
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557637
4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114
4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 16594690
4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46799189
4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373535
N-(4-bromo-2,6-dimethylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 100795511
N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 40742127

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate?
The IUPAC name of tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate (CID 22108264) is tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate?
The canonical SMILES for tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate is COc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate?
The InChIKey is XNDQTIHPPPXWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O6S/c1-10(2)19-26(22,23)13-9-11(7-8-12(13)24-6)14(20)17-18-15(21)25-16(3,4)5/h7-10,19H,1-6H3,(H,17,20)(H,18,21).
What are the key properties of tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate?
tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate has a molecular weight of 387.46 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate is sourced from PubChem (CID 22108264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).