3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide

C16H19N3O3S — CID 110731554

IUPAC3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCc1cn(C)c2ccccc12
InChIInChI=1S/C16H19N3O3S/c1-11-16(12(2)22-18-11)23(20,21)17-9-8-13-10-19(3)15-7-5-4-6-14(13)15/h4-7,10,17H,8-9H2,1-3H3
InChIKeyLWZZDXUAPOGOIJ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.30
Rot. Bonds5

About 3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 110731554) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID110731554
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCc1cn(C)c2ccccc12
InChIInChI=1S/C16H19N3O3S/c1-11-16(12(2)22-18-11)23(20,21)17-9-8-13-10-19(3)15-7-5-4-6-14(13)15/h4-7,10,17H,8-9H2,1-3H3
InChIKeyLWZZDXUAPOGOIJ-UHFFFAOYSA-N
XLogP2.30
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083935
4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083934
3,5-dimethyl-N-[2-(2-oxo-1-pyridinyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 75512081
3,5-dimethyl-N-[2-(4-propylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110787816
N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 122244863
N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 7436894
3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide
CID 110730460
N-[(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentyl]-1-methylindole-3-carboxamide
CID 146041544
N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110789514
2-(1-methylindol-3-yl)ethanesulfonyl chloride
CID 82483252
3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 45496984
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110321600

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide (CID 110731554) is 3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCc1cn(C)c2ccccc12.
What is the InChIKey of 3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is LWZZDXUAPOGOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-16(12(2)22-18-11)23(20,21)17-9-8-13-10-19(3)15-7-5-4-6-14(13)15/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110731554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).