2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

C14H19N3O4S2 — CID 8002079

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C14H19N3O4S2/c1-4-17(9-13(18)15-8-12-6-5-7-22-12)23(19,20)14-10(2)16-21-11(14)3/h5-7H,4,8-9H2,1-3H3,(H,15,18)
InChIKeyFNDGMEVUPLODGM-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.68
Rot. Bonds7

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 8002079) has the molecular formula C14H19N3O4S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID8002079
Molecular FormulaC14H19N3O4S2
Molecular Weight357.46 g/mol
Exact Mass357.08
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C14H19N3O4S2/c1-4-17(9-13(18)15-8-12-6-5-7-22-12)23(19,20)14-10(2)16-21-11(14)3/h5-7H,4,8-9H2,1-3H3,(H,15,18)
InChIKeyFNDGMEVUPLODGM-UHFFFAOYSA-N
XLogP1.68
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2424003
3,5-dimethyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 78802171
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(2-ethylphenyl)acetamide
CID 26943724
N-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39350742
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethyl-N-(thiophen-2-ylmethyl)propanamide
CID 55937345
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 27095198
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 3236370
N-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3801195
3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 17173767
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 78957766
3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 131909908

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 8002079) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1c(C)noc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is FNDGMEVUPLODGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S2/c1-4-17(9-13(18)15-8-12-6-5-7-22-12)23(19,20)14-10(2)16-21-11(14)3/h5-7H,4,8-9H2,1-3H3,(H,15,18).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 357.46 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 8002079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).