N-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide

C16H26N2O3S — CID 2136205

IUPACN-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-13-8-10-14(11-9-13)22(20,21)18(5)12-6-7-15(19)17-16(2,3)4/h8-11H,6-7,12H2,1-5H3,(H,17,19)
InChIKeyNRJZUEXIOJVJNA-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.31
Rot. Bonds6

About N-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide

N-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide (PubChem CID 2136205) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide
PubChem CID2136205
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-13-8-10-14(11-9-13)22(20,21)18(5)12-6-7-15(19)17-16(2,3)4/h8-11H,6-7,12H2,1-5H3,(H,17,19)
InChIKeyNRJZUEXIOJVJNA-UHFFFAOYSA-N
XLogP2.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 11287998
N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 4610141
6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide
CID 42100975
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide
CID 60562349
N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30855362
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(2-amino-2-methylpropyl)butanamide
CID 119629209
N-[1-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46806846
N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide
CID 110415332
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132
4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide
CID 132654297
4-[methyl-(4-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 43244916
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide?
The IUPAC name of N-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide (CID 2136205) is N-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide?
The canonical SMILES for N-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide is Cc1ccc(S(=O)(=O)N(C)CCCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide?
The InChIKey is NRJZUEXIOJVJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13-8-10-14(11-9-13)22(20,21)18(5)12-6-7-15(19)17-16(2,3)4/h8-11H,6-7,12H2,1-5H3,(H,17,19).
What are the key properties of N-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide?
N-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide has a molecular weight of 326.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 2136205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).