N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide

C16H20N2O4S — CID 136520086

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESCc1noc(C)c1CCNS(=O)(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H20N2O4S/c1-11-15(12(2)22-18-11)7-8-17-23(19,20)14-5-6-16-13(10-14)4-3-9-21-16/h5-6,10,17H,3-4,7-9H2,1-2H3
InChIKeyZGGPPRPTQIDJKH-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.14
Rot. Bonds5

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide (PubChem CID 136520086) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide
PubChem CID136520086
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESCc1noc(C)c1CCNS(=O)(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H20N2O4S/c1-11-15(12(2)22-18-11)7-8-17-23(19,20)14-5-6-16-13(10-14)4-3-9-21-16/h5-6,10,17H,3-4,7-9H2,1-2H3
InChIKeyZGGPPRPTQIDJKH-UHFFFAOYSA-N
XLogP2.14
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705619
N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705600
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide
CID 110790458
4-cyclopentyloxy-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110646346
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110731011
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
N-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 154836020
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 71912550
N-[2-(4-aminophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120715684
N-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 120720142
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119965027
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91907142

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide (CID 136520086) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide is Cc1noc(C)c1CCNS(=O)(=O)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide?
The InChIKey is ZGGPPRPTQIDJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11-15(12(2)22-18-11)7-8-17-23(19,20)14-5-6-16-13(10-14)4-3-9-21-16/h5-6,10,17H,3-4,7-9H2,1-2H3.
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide has a molecular weight of 336.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide is sourced from PubChem (CID 136520086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).