N-(6-butoxy-2,2-dimethylchromen-4-yl)-N-ethylmethanesulfonamide

C18H27NO4S — CID 19593315

IUPACN-(6-butoxy-2,2-dimethylchromen-4-yl)-N-ethylmethanesulfonamide
SMILESCCCCOc1ccc2c(c1)C(N(CC)S(C)(=O)=O)=CC(C)(C)O2
InChIInChI=1S/C18H27NO4S/c1-6-8-11-22-14-9-10-17-15(12-14)16(13-18(3,4)23-17)19(7-2)24(5,20)21/h9-10,12-13H,6-8,11H2,1-5H3
InChIKeyOUVXDBUKZQLOJF-UHFFFAOYSA-N
MW353.48 g/mol
LogP3.66
Rot. Bonds7

About N-(6-butoxy-2,2-dimethylchromen-4-yl)-N-ethylmethanesulfonamide

N-(6-butoxy-2,2-dimethylchromen-4-yl)-N-ethylmethanesulfonamide (PubChem CID 19593315) has the molecular formula C18H27NO4S and a molecular weight of 353.48 g/mol. Its IUPAC name is N-(6-butoxy-2,2-dimethylchromen-4-yl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-(6-butoxy-2,2-dimethylchromen-4-yl)-N-ethylmethanesulfonamide
PubChem CID19593315
Molecular FormulaC18H27NO4S
Molecular Weight353.48 g/mol
Exact Mass353.17
IUPAC NameN-(6-butoxy-2,2-dimethylchromen-4-yl)-N-ethylmethanesulfonamide
SMILESCCCCOc1ccc2c(c1)C(N(CC)S(C)(=O)=O)=CC(C)(C)O2
InChIInChI=1S/C18H27NO4S/c1-6-8-11-22-14-9-10-17-15(12-14)16(13-18(3,4)23-17)19(7-2)24(5,20)21/h9-10,12-13H,6-8,11H2,1-5H3
InChIKeyOUVXDBUKZQLOJF-UHFFFAOYSA-N
XLogP3.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-1,4-dioxo-6-pentoxynaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione
CID 135886390
5-butoxy-3H-1,2-benzodioxole
CID 88819864
N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-yl]-N-methylmethanesulfonamide
CID 102023241
2-butoxy-7-hexoxyfluoren-9-one
CID 6425371
6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 11831848
N-(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-butylbutane-1-sulfonamide
CID 59941104
4-[(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-methylsulfonylamino]butanoic acid
CID 59941134
6-butoxy-3H-2-benzofuran-1-one
CID 70217112
4-butoxy-1H-pyridin-2-one
CID 58896757
6-butoxy-2,2,4-tributyl-1H-quinoline
CID 139634173
7-butoxy-3,4-dihydro-2H-isoquinolin-1-one
CID 145310441
7-[(2-methyl-2-nonyl-3,4-dihydrochromen-6-yl)oxy]heptanoic acid
CID 59545007

Frequently Asked Questions

What is the IUPAC name of N-(6-butoxy-2,2-dimethylchromen-4-yl)-N-ethylmethanesulfonamide?
The IUPAC name of N-(6-butoxy-2,2-dimethylchromen-4-yl)-N-ethylmethanesulfonamide (CID 19593315) is N-(6-butoxy-2,2-dimethylchromen-4-yl)-N-ethylmethanesulfonamide.
What is the SMILES notation for N-(6-butoxy-2,2-dimethylchromen-4-yl)-N-ethylmethanesulfonamide?
The canonical SMILES for N-(6-butoxy-2,2-dimethylchromen-4-yl)-N-ethylmethanesulfonamide is CCCCOc1ccc2c(c1)C(N(CC)S(C)(=O)=O)=CC(C)(C)O2.
What is the InChIKey of N-(6-butoxy-2,2-dimethylchromen-4-yl)-N-ethylmethanesulfonamide?
The InChIKey is OUVXDBUKZQLOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4S/c1-6-8-11-22-14-9-10-17-15(12-14)16(13-18(3,4)23-17)19(7-2)24(5,20)21/h9-10,12-13H,6-8,11H2,1-5H3.
What are the key properties of N-(6-butoxy-2,2-dimethylchromen-4-yl)-N-ethylmethanesulfonamide?
N-(6-butoxy-2,2-dimethylchromen-4-yl)-N-ethylmethanesulfonamide has a molecular weight of 353.48 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butoxy-2,2-dimethylchromen-4-yl)-N-ethylmethanesulfonamide is sourced from PubChem (CID 19593315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).