3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide

C13H19N3O4S — CID 119277783

IUPAC3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CCN
InChIInChI=1S/C13H19N3O4S/c1-20-12-5-4-10(21(18,19)16-9-2-3-9)8-11(12)15-13(17)6-7-14/h4-5,8-9,16H,2-3,6-7,14H2,1H3,(H,15,17)
InChIKeyGKKRQEAFBSCHKF-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.42
Rot. Bonds7

About 3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide

3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide (PubChem CID 119277783) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
PubChem CID119277783
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CCN
InChIInChI=1S/C13H19N3O4S/c1-20-12-5-4-10(21(18,19)16-9-2-3-9)8-11(12)15-13(17)6-7-14/h4-5,8-9,16H,2-3,6-7,14H2,1H3,(H,15,17)
InChIKeyGKKRQEAFBSCHKF-UHFFFAOYSA-N
XLogP0.42
TPSA110.52 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 ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 33161073
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide
CID 30390392
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-phenylpropanamide
CID 119949323
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-2-ylacetamide
CID 33159236
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 46535363
4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride
CID 120921031
methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate
CID 37174802
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 33159226
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide
CID 119277803
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119277802
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120619738

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide?
The IUPAC name of 3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide (CID 119277783) is 3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide.
What is the SMILES notation for 3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide?
The canonical SMILES for 3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CCN.
What is the InChIKey of 3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide?
The InChIKey is GKKRQEAFBSCHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-20-12-5-4-10(21(18,19)16-9-2-3-9)8-11(12)15-13(17)6-7-14/h4-5,8-9,16H,2-3,6-7,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide?
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide has a molecular weight of 313.38 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide is sourced from PubChem (CID 119277783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).