N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide

C14H16N2O5S2 — CID 87011344

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NS(=O)(=O)c2c(C)noc2C)s1
InChIInChI=1S/C14H16N2O5S2/c1-8-4-6-12(22-8)11(17)5-7-13(18)16-23(19,20)14-9(2)15-21-10(14)3/h4,6H,5,7H2,1-3H3,(H,16,18)
InChIKeyISNOSEOFZJDONQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.13
Rot. Bonds6

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide (PubChem CID 87011344) has the molecular formula C14H16N2O5S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
PubChem CID87011344
Molecular FormulaC14H16N2O5S2
Molecular Weight356.43 g/mol
Exact Mass356.05
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NS(=O)(=O)c2c(C)noc2C)s1
InChIInChI=1S/C14H16N2O5S2/c1-8-4-6-12(22-8)11(17)5-7-13(18)16-23(19,20)14-9(2)15-21-10(14)3/h4,6H,5,7H2,1-3H3,(H,16,18)
InChIKeyISNOSEOFZJDONQ-UHFFFAOYSA-N
XLogP2.13
TPSA106.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylthiophene-2-carboxamide
CID 86997815
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 71894477
N-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18106816
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9042128
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317
N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18108619
N-(1,3-benzodioxol-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 110295806
methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate
CID 110295798
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 79027700
2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide
CID 78828249
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 39754436

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide (CID 87011344) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NS(=O)(=O)c2c(C)noc2C)s1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The InChIKey is ISNOSEOFZJDONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S2/c1-8-4-6-12(22-8)11(17)5-7-13(18)16-23(19,20)14-9(2)15-21-10(14)3/h4,6H,5,7H2,1-3H3,(H,16,18).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide has a molecular weight of 356.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 87011344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).