N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide

C18H27N3O4S — CID 20936548

IUPACN-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1OC
InChIInChI=1S/C18H27N3O4S/c1-6-21(7-2)11-10-19-26(22,23)17-12-15(8-9-16(17)24-5)18-13(3)14(4)20-25-18/h8-9,12,19H,6-7,10-11H2,1-5H3
InChIKeyRFPCYOQMTUKLKB-UHFFFAOYSA-N
MW381.50 g/mol
LogP2.59
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide

N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide (PubChem CID 20936548) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide
PubChem CID20936548
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1OC
InChIInChI=1S/C18H27N3O4S/c1-6-21(7-2)11-10-19-26(22,23)17-12-15(8-9-16(17)24-5)18-13(3)14(4)20-25-18/h8-9,12,19H,6-7,10-11H2,1-5H3
InChIKeyRFPCYOQMTUKLKB-UHFFFAOYSA-N
XLogP2.59
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 20936573
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide
CID 20936586
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
CID 20935605
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 20936585
5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 91669771
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-ethyl-4-methyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 50902426
5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79961695
N-(5-chloro-2-methoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935532
N-[2-(dimethylamino)ethyl]-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methoxybenzenesulfonamide
CID 83273930
3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
CID 53060009
5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide
CID 110446678
N-cyclopropyl-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
CID 53060006

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide (CID 20936548) is N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1OC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide?
The InChIKey is RFPCYOQMTUKLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-6-21(7-2)11-10-19-26(22,23)17-12-15(8-9-16(17)24-5)18-13(3)14(4)20-25-18/h8-9,12,19H,6-7,10-11H2,1-5H3.
What are the key properties of N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide?
N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 20936548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).