2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide

C13H21N3O4S — CID 61115700

IUPAC2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C13H21N3O4S/c1-10-6-11(14)8-12(7-10)21(18,19)16(2)9-13(17)15-4-5-20-3/h6-8H,4-5,9,14H2,1-3H3,(H,15,17)
InChIKeyWXSQPVVTCJLLQO-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.04
Rot. Bonds7

About 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide

2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 61115700) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID61115700
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C13H21N3O4S/c1-10-6-11(14)8-12(7-10)21(18,19)16(2)9-13(17)15-4-5-20-3/h6-8H,4-5,9,14H2,1-3H3,(H,15,17)
InChIKeyWXSQPVVTCJLLQO-UHFFFAOYSA-N
XLogP-0.04
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 61125979
N-(2-methoxyethyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2207014
3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61109542
3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide
CID 43263056
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 60707775
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 38253630
methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
CID 30872480
2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 106270760
N-(2-methoxyethyl)-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide
CID 60716095
1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47194755
N-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide
CID 38253533
N-(2-methoxyethyl)-2-[[4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]sulfonyl-methylamino]acetamide
CID 42961175

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide (CID 61115700) is 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)S(=O)(=O)c1cc(C)cc(N)c1.
What is the InChIKey of 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is WXSQPVVTCJLLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-10-6-11(14)8-12(7-10)21(18,19)16(2)9-13(17)15-4-5-20-3/h6-8H,4-5,9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 315.40 g/mol, XLogP of -0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 61115700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).