2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide

C14H23N3O3S — CID 61125979

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

About 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide

2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide (PubChem CID 61125979) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide
PubChem CID61125979
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide
SMILESCc1cc(N)cc(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-10-6-11(15)8-12(7-10)21(19,20)17(5)9-13(18)16-14(2,3)4/h6-8H,9,15H2,1-5H3,(H,16,18)
InChIKeyJVEGIGQOGXIWMX-UHFFFAOYSA-N
XLogP1.11
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

2-[(3-amino-4-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 61125788
2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 61115700
2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 61299810
2-[(5-amino-2-bromophenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 65207012
3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide
CID 43263056
N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3608419
N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide
CID 9189054
2-[(3-bromo-4-chlorophenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 106545297
N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide
CID 9189120
N-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide
CID 60960044
2-[(4-amino-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 79589010
N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 9189126

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide (CID 61125979) is 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide is Cc1cc(N)cc(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)c1.
What is the InChIKey of 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide?
The InChIKey is JVEGIGQOGXIWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10-6-11(15)8-12(7-10)21(19,20)17(5)9-13(18)16-14(2,3)4/h6-8H,9,15H2,1-5H3,(H,16,18).
What are the key properties of 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide?
2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide has a molecular weight of 313.42 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide is sourced from PubChem (CID 61125979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).