2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide

C10H15N3O3S — CID 10825041

IUPAC2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCNCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H15N3O3S/c1-12-7-10(14)13-6-8-2-4-9(5-3-8)17(11,15)16/h2-5,12H,6-7H2,1H3,(H,13,14)(H2,11,15,16)
InChIKeyQLGPNIHNJYSXNB-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.83
Rot. Bonds5

About 2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 10825041) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID10825041
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCNCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H15N3O3S/c1-12-7-10(14)13-6-8-2-4-9(5-3-8)17(11,15)16/h2-5,12H,6-7H2,1H3,(H,13,14)(H2,11,15,16)
InChIKeyQLGPNIHNJYSXNB-UHFFFAOYSA-N
XLogP-0.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 10825041) is 2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide is CNCC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is QLGPNIHNJYSXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-12-7-10(14)13-6-8-2-4-9(5-3-8)17(11,15)16/h2-5,12H,6-7H2,1H3,(H,13,14)(H2,11,15,16).
What are the key properties of 2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 257.31 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 10825041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).