2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide

C14H23N3O3S — CID 61106635

IUPAC2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C14H23N3O3S/c1-4-5-6-17(9-14(16)18)21(19,20)13-8-12(15)7-10(2)11(13)3/h7-8H,4-6,9,15H2,1-3H3,(H2,16,18)
InChIKeyVJUNXMJYPKFZPN-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.16
Rot. Bonds7

About 2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide

2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide (PubChem CID 61106635) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide.

Molecular Properties

Compound Name2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide
PubChem CID61106635
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C14H23N3O3S/c1-4-5-6-17(9-14(16)18)21(19,20)13-8-12(15)7-10(2)11(13)3/h7-8H,4-6,9,15H2,1-3H3,(H2,16,18)
InChIKeyVJUNXMJYPKFZPN-UHFFFAOYSA-N
XLogP1.16
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide
CID 28551352
2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide
CID 80711575
2-[(3-amino-5-methylphenyl)sulfonyl-butylamino]acetamide
CID 61107191
2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 47064825
2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 80642681
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101051
2-[(3-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 63322009
2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 61105509
2-[(4-aminothiophen-2-yl)sulfonyl-butylamino]acetamide
CID 61299792
2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
CID 47318380
4-amino-N,N-dibutyl-2-methylbenzenesulfonamide
CID 43258806
5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112413

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide?
The IUPAC name of 2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide (CID 61106635) is 2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide.
What is the SMILES notation for 2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide?
The canonical SMILES for 2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide is CCCCN(CC(N)=O)S(=O)(=O)c1cc(N)cc(C)c1C.
What is the InChIKey of 2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide?
The InChIKey is VJUNXMJYPKFZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-5-6-17(9-14(16)18)21(19,20)13-8-12(15)7-10(2)11(13)3/h7-8H,4-6,9,15H2,1-3H3,(H2,16,18).
What are the key properties of 2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide?
2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide has a molecular weight of 313.42 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide is sourced from PubChem (CID 61106635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).