2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide

C14H20N2O3S2 — CID 53079292

IUPAC2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)NCCC(C)C)c(C)s2)on1
InChIInChI=1S/C14H20N2O3S2/c1-9(2)5-6-15-21(17,18)14-8-13(20-11(14)4)12-7-10(3)16-19-12/h7-9,15H,5-6H2,1-4H3
InChIKeyZQEWLZCGWVKCCQ-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.34
Rot. Bonds6

About 2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide

2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 53079292) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID53079292
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)NCCC(C)C)c(C)s2)on1
InChIInChI=1S/C14H20N2O3S2/c1-9(2)5-6-15-21(17,18)14-8-13(20-11(14)4)12-7-10(3)16-19-12/h7-9,15H,5-6H2,1-4H3
InChIKeyZQEWLZCGWVKCCQ-UHFFFAOYSA-N
XLogP3.34
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(3-methylbutyl)-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 46392947
2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50840224
N-(3,5-dimethylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079297
N-(2-bromo-4-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079288
N-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079301
N-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079287
N-[(3S)-3-(azepan-1-yl)butyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 92505391
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-morpholin-4-ylbutyl)benzenesulfonamide
CID 20935805
N-[(3S)-3-(azepan-1-yl)butyl]-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide
CID 92884490
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816
2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077528
5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 113254409

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 53079292) is 2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide is Cc1cc(-c2cc(S(=O)(=O)NCCC(C)C)c(C)s2)on1.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is ZQEWLZCGWVKCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-9(2)5-6-15-21(17,18)14-8-13(20-11(14)4)12-7-10(3)16-19-12/h7-9,15H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53079292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).