N-[3-methyl-4-[(2E)-3-methylpenta-2,4-dien-2-yl]phenyl]methanesulfonamide

C14H19NO2S — CID 88584076

IUPACN-[3-methyl-4-[(2E)-3-methylpenta-2,4-dien-2-yl]phenyl]methanesulfonamide
SMILESC=C/C(C)=C(\C)c1ccc(NS(C)(=O)=O)cc1C
InChIInChI=1S/C14H19NO2S/c1-6-10(2)12(4)14-8-7-13(9-11(14)3)15-18(5,16)17/h6-9,15H,1H2,2-5H3/b12-10+
InChIKeyLHRYUQMRFOETHL-ZRDIBKRKSA-N
MW265.38 g/mol
LogP3.35
Rot. Bonds4

About N-[3-methyl-4-[(2E)-3-methylpenta-2,4-dien-2-yl]phenyl]methanesulfonamide

N-[3-methyl-4-[(2E)-3-methylpenta-2,4-dien-2-yl]phenyl]methanesulfonamide (PubChem CID 88584076) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[3-methyl-4-[(2E)-3-methylpenta-2,4-dien-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-methyl-4-[(2E)-3-methylpenta-2,4-dien-2-yl]phenyl]methanesulfonamide
PubChem CID88584076
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-[3-methyl-4-[(2E)-3-methylpenta-2,4-dien-2-yl]phenyl]methanesulfonamide
SMILESC=C/C(C)=C(\C)c1ccc(NS(C)(=O)=O)cc1C
InChIInChI=1S/C14H19NO2S/c1-6-10(2)12(4)14-8-7-13(9-11(14)3)15-18(5,16)17/h6-9,15H,1H2,2-5H3/b12-10+
InChIKeyLHRYUQMRFOETHL-ZRDIBKRKSA-N
XLogP3.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide
CID 123560308
N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide
CID 43629655
N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide
CID 79802964
ethyl 5-(methanesulfonamido)-2-methylbenzoate
CID 59066715
N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide
CID 20737165
N-(3-acetyl-4-methoxyphenyl)methanesulfonamide
CID 18615187
N-(4-prop-2-enoxyphenyl)methanesulfonamide
CID 15675894
N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane
CID 142910811
N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
CID 57203958
N-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
CID 66715578
2-amino-5-(methanesulfonamido)benzamide
CID 59583438
2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide
CID 46764359

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[(2E)-3-methylpenta-2,4-dien-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-methyl-4-[(2E)-3-methylpenta-2,4-dien-2-yl]phenyl]methanesulfonamide (CID 88584076) is N-[3-methyl-4-[(2E)-3-methylpenta-2,4-dien-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-methyl-4-[(2E)-3-methylpenta-2,4-dien-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-methyl-4-[(2E)-3-methylpenta-2,4-dien-2-yl]phenyl]methanesulfonamide is C=C/C(C)=C(\C)c1ccc(NS(C)(=O)=O)cc1C.
What is the InChIKey of N-[3-methyl-4-[(2E)-3-methylpenta-2,4-dien-2-yl]phenyl]methanesulfonamide?
The InChIKey is LHRYUQMRFOETHL-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-6-10(2)12(4)14-8-7-13(9-11(14)3)15-18(5,16)17/h6-9,15H,1H2,2-5H3/b12-10+.
What are the key properties of N-[3-methyl-4-[(2E)-3-methylpenta-2,4-dien-2-yl]phenyl]methanesulfonamide?
N-[3-methyl-4-[(2E)-3-methylpenta-2,4-dien-2-yl]phenyl]methanesulfonamide has a molecular weight of 265.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[(2E)-3-methylpenta-2,4-dien-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 88584076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).