N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide

C13H18N2O4S — CID 47113517

IUPACN-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
SMILESCOc1ccccc1S(=O)(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C13H18N2O4S/c1-19-11-4-2-3-5-12(11)20(17,18)15-9-8-14-13(16)10-6-7-10/h2-5,10,15H,6-9H2,1H3,(H,14,16)
InChIKeyWIDLNSNVJMRXPT-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.50
Rot. Bonds7

About N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide

N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide (PubChem CID 47113517) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
PubChem CID47113517
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
SMILESCOc1ccccc1S(=O)(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C13H18N2O4S/c1-19-11-4-2-3-5-12(11)20(17,18)15-9-8-14-13(16)10-6-7-10/h2-5,10,15H,6-9H2,1H3,(H,14,16)
InChIKeyWIDLNSNVJMRXPT-UHFFFAOYSA-N
XLogP0.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 108573631
N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145151
methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639551
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145197
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
N-[2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 106597853
N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
CID 64910766
4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144383
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145158
N-(3-aminopropyl)-2-methoxybenzenesulfonamide
CID 43605820
N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
CID 47104251

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide (CID 47113517) is N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide is COc1ccccc1S(=O)(=O)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is WIDLNSNVJMRXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-19-11-4-2-3-5-12(11)20(17,18)15-9-8-14-13(16)10-6-7-10/h2-5,10,15H,6-9H2,1H3,(H,14,16).
What are the key properties of N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 298.36 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 47113517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).