N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C17H28N2O3S — CID 35515241

IUPACN-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)NCCC(C)C)c(C)c1
InChIInChI=1S/C17H28N2O3S/c1-12(2)6-8-18-16(20)7-9-19-23(21,22)17-14(4)10-13(3)11-15(17)5/h10-12,19H,6-9H2,1-5H3,(H,18,20)
InChIKeyUEWSKHHLHIISDU-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.44
Rot. Bonds8

About N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 35515241) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID35515241
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)NCCC(C)C)c(C)c1
InChIInChI=1S/C17H28N2O3S/c1-12(2)6-8-18-16(20)7-9-19-23(21,22)17-14(4)10-13(3)11-15(17)5/h10-12,19H,6-9H2,1-5H3,(H,18,20)
InChIKeyUEWSKHHLHIISDU-UHFFFAOYSA-N
XLogP2.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119370391
2-[2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]ethylsulfanyl]acetic acid
CID 120526468
(2R)-3-methyl-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119369658
N-[2-(2-fluorophenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 31282077
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
N-(3-methylbutyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113056893
N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 31590226
2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 110759544
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 55524211
(2S)-2-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid
CID 104933998
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 107327415
N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119522413

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 35515241) is N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)NCCC(=O)NCCC(C)C)c(C)c1.
What is the InChIKey of N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is UEWSKHHLHIISDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-12(2)6-8-18-16(20)7-9-19-23(21,22)17-14(4)10-13(3)11-15(17)5/h10-12,19H,6-9H2,1-5H3,(H,18,20).
What are the key properties of N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 340.49 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 35515241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).