2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide

C14H23N3O3S — CID 61127922

IUPAC2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C14H23N3O3S/c1-5-17(9-14(18)16-10(2)3)21(19,20)12-7-6-11(4)13(15)8-12/h6-8,10H,5,9,15H2,1-4H3,(H,16,18)
InChIKeyJQAWILHICNTWIO-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.11
Rot. Bonds6

About 2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide

2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide (PubChem CID 61127922) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
PubChem CID61127922
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C14H23N3O3S/c1-5-17(9-14(18)16-10(2)3)21(19,20)12-7-6-11(4)13(15)8-12/h6-8,10H,5,9,15H2,1-4H3,(H,16,18)
InChIKeyJQAWILHICNTWIO-UHFFFAOYSA-N
XLogP1.11
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.11
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

3-amino-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61112335
3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587375
2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
CID 42912907
2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
CID 61127317
2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114656
2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide
CID 47090018
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-[(2S)-pentan-2-yl]acetamide
CID 92518793
2-[benzenesulfonyl(ethyl)amino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906259
N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 4301159
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92645567
N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781337
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401395

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide (CID 61127922) is 2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is JQAWILHICNTWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-17(9-14(18)16-10(2)3)21(19,20)12-7-6-11(4)13(15)8-12/h6-8,10H,5,9,15H2,1-4H3,(H,16,18).
What are the key properties of 2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide?
2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 313.42 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 61127922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).