2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide

C14H23N3O3S — CID 115355937

IUPAC2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-9-6-11(15)10(2)12(7-9)21(19,20)16-8-13(18)17-14(3,4)5/h6-7,16H,8,15H2,1-5H3,(H,17,18)
InChIKeyKNXZRHPSBIMXAM-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.08
Rot. Bonds4

About 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide

2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide (PubChem CID 115355937) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide
PubChem CID115355937
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-9-6-11(15)10(2)12(7-9)21(19,20)16-8-13(18)17-14(3,4)5/h6-7,16H,8,15H2,1-5H3,(H,17,18)
InChIKeyKNXZRHPSBIMXAM-UHFFFAOYSA-N
XLogP1.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 79889906
3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 79889074
2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355883
3-[2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108138
3-amino-N-[(2S)-2-hydroxypropyl]-2,5-dimethylbenzenesulfonamide
CID 107213362
2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355879
3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide
CID 104758528
3-amino-N-(2-hydroxy-3-methoxypropyl)-2,5-dimethylbenzenesulfonamide
CID 79889329
2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355917
3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 106181480
N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327346
2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]-N-tert-butylacetamide
CID 115355880

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide (CID 115355937) is 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide is Cc1cc(N)c(C)c(S(=O)(=O)NCC(=O)NC(C)(C)C)c1.
What is the InChIKey of 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide?
The InChIKey is KNXZRHPSBIMXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-9-6-11(15)10(2)12(7-9)21(19,20)16-8-13(18)17-14(3,4)5/h6-7,16H,8,15H2,1-5H3,(H,17,18).
What are the key properties of 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide?
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide has a molecular weight of 313.42 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide is sourced from PubChem (CID 115355937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).