N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide

C12H19N3O4S — CID 60842548

IUPACN-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)CNC(C)C
InChIInChI=1S/C12H19N3O4S/c1-8(2)14-7-12(16)15-10-6-9(20(13,17)18)4-5-11(10)19-3/h4-6,8,14H,7H2,1-3H3,(H,15,16)(H2,13,17,18)
InChIKeyLVPMOHCWMSJRSN-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.28
Rot. Bonds6

About N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide

N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide (PubChem CID 60842548) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
PubChem CID60842548
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)CNC(C)C
InChIInChI=1S/C12H19N3O4S/c1-8(2)14-7-12(16)15-10-6-9(20(13,17)18)4-5-11(10)19-3/h4-6,8,14H,7H2,1-3H3,(H,15,16)(H2,13,17,18)
InChIKeyLVPMOHCWMSJRSN-UHFFFAOYSA-N
XLogP0.28
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876342
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60671270
3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide
CID 81070768
2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
CID 115575110
2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide
CID 79473829
N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697481
N-(2-methoxy-5-sulfamoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 51281096
3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide
CID 51281176
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 17406570
1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea
CID 79162786
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylethylamino)acetamide
CID 42913358

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide (CID 60842548) is N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide is COc1ccc(S(N)(=O)=O)cc1NC(=O)CNC(C)C.
What is the InChIKey of N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is LVPMOHCWMSJRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8(2)14-7-12(16)15-10-6-9(20(13,17)18)4-5-11(10)19-3/h4-6,8,14H,7H2,1-3H3,(H,15,16)(H2,13,17,18).
What are the key properties of N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide?
N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 301.37 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60842548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).