2-[(2-amino-2-oxoethyl)-(benzenesulfonyl)amino]acetamide

C10H13N3O4S — CID 794200

IUPAC2-[(2-amino-2-oxoethyl)-(benzenesulfonyl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13N3O4S/c11-9(14)6-13(7-10(12)15)18(16,17)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,14)(H2,12,15)
InChIKeyARRNCECDLVWDFH-UHFFFAOYSA-N
MW271.30 g/mol
LogP-1.35
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-(benzenesulfonyl)amino]acetamide

2-[(2-amino-2-oxoethyl)-(benzenesulfonyl)amino]acetamide (PubChem CID 794200) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(benzenesulfonyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(benzenesulfonyl)amino]acetamide
PubChem CID794200
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name2-[(2-amino-2-oxoethyl)-(benzenesulfonyl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13N3O4S/c11-9(14)6-13(7-10(12)15)18(16,17)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,14)(H2,12,15)
InChIKeyARRNCECDLVWDFH-UHFFFAOYSA-N
XLogP-1.35
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(benzenesulfonyl)amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(benzenesulfonyl)amino]acetamide (CID 794200) is 2-[(2-amino-2-oxoethyl)-(benzenesulfonyl)amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(benzenesulfonyl)amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(benzenesulfonyl)amino]acetamide is NC(=O)CN(CC(N)=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(benzenesulfonyl)amino]acetamide?
The InChIKey is ARRNCECDLVWDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c11-9(14)6-13(7-10(12)15)18(16,17)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,14)(H2,12,15).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(benzenesulfonyl)amino]acetamide?
2-[(2-amino-2-oxoethyl)-(benzenesulfonyl)amino]acetamide has a molecular weight of 271.30 g/mol, XLogP of -1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(benzenesulfonyl)amino]acetamide is sourced from PubChem (CID 794200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).