N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide

C13H19N3O4S — CID 119701916

IUPACN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC
InChIInChI=1S/C13H19N3O4S/c1-14-8-13(17)15-11-7-10(5-6-12(11)20-2)21(18,19)16-9-3-4-9/h5-7,9,14,16H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyULLHQTVKFOAJGT-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.29
Rot. Bonds7

About N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide

N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide (PubChem CID 119701916) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
PubChem CID119701916
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC
InChIInChI=1S/C13H19N3O4S/c1-14-8-13(17)15-11-7-10(5-6-12(11)20-2)21(18,19)16-9-3-4-9/h5-7,9,14,16H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyULLHQTVKFOAJGT-UHFFFAOYSA-N
XLogP0.29
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 46535363
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-2-ylacetamide
CID 33159236
methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate
CID 37174802
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-phenylpropanamide
CID 119949323
3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 33161073
N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 31417807
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide
CID 30390392
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120619738
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 30390422
N-[4-[(2R)-butan-2-yl]phenyl]-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 25409070
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 37174879

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide?
The IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide (CID 119701916) is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide is CNCC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC.
What is the InChIKey of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide?
The InChIKey is ULLHQTVKFOAJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-14-8-13(17)15-11-7-10(5-6-12(11)20-2)21(18,19)16-9-3-4-9/h5-7,9,14,16H,3-4,8H2,1-2H3,(H,15,17).
What are the key properties of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide?
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide has a molecular weight of 313.38 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide is sourced from PubChem (CID 119701916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).