N-ethyl-N-[2-[ethyl-[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-4-methoxybenzenesulfonamide

C23H30N4O4S2 — CID 66878627

IUPACN-ethyl-N-[2-[ethyl-[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-4-methoxybenzenesulfonamide
SMILESCCN(CCN(CC)S(=O)(=O)c1ccc(OC)cc1)c1nc(Cc2ccccc2OC)ns1
InChIInChI=1S/C23H30N4O4S2/c1-5-26(23-24-22(25-32-23)17-18-9-7-8-10-21(18)31-4)15-16-27(6-2)33(28,29)20-13-11-19(30-3)12-14-20/h7-14H,5-6,15-17H2,1-4H3
InChIKeyRDOYENKWVXZQLR-UHFFFAOYSA-N
MW490.65 g/mol
LogP3.68
Rot. Bonds12

About N-ethyl-N-[2-[ethyl-[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-4-methoxybenzenesulfonamide

N-ethyl-N-[2-[ethyl-[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-4-methoxybenzenesulfonamide (PubChem CID 66878627) has the molecular formula C23H30N4O4S2 and a molecular weight of 490.65 g/mol. Its IUPAC name is N-ethyl-N-[2-[ethyl-[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[ethyl-[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-4-methoxybenzenesulfonamide
PubChem CID66878627
Molecular FormulaC23H30N4O4S2
Molecular Weight490.65 g/mol
Exact Mass490.17
IUPAC NameN-ethyl-N-[2-[ethyl-[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-4-methoxybenzenesulfonamide
SMILESCCN(CCN(CC)S(=O)(=O)c1ccc(OC)cc1)c1nc(Cc2ccccc2OC)ns1
InChIInChI=1S/C23H30N4O4S2/c1-5-26(23-24-22(25-32-23)17-18-9-7-8-10-21(18)31-4)15-16-27(6-2)33(28,29)20-13-11-19(30-3)12-14-20/h7-14H,5-6,15-17H2,1-4H3
InChIKeyRDOYENKWVXZQLR-UHFFFAOYSA-N
XLogP3.68
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-N-[2-[ethyl-[3-[(4-fluoro-3-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-4-methoxybenzenesulfonamide
CID 66878099
4-methoxy-N-[2-[methyl-[3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide
CID 67246501
N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 43136907
4-methoxy-N-methyl-N-[2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide
CID 67245434
N,N-diethyl-4-[2-[[3-[2-[ethyl-[4-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]phenyl]-phenylmethyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 123351510
N-ethyl-4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 45372150
N-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46022004
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 17078786
N,N-bis[2-[bis[(4-methoxyphenyl)sulfonyl]amino]ethyl]-4-methoxybenzenesulfonamide
CID 101372665
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
4-methoxy-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 46319215
4-methoxy-N-[2-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethyl]benzenesulfonamide
CID 59362045

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[ethyl-[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-ethyl-N-[2-[ethyl-[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-4-methoxybenzenesulfonamide (CID 66878627) is N-ethyl-N-[2-[ethyl-[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[2-[ethyl-[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-ethyl-N-[2-[ethyl-[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-4-methoxybenzenesulfonamide is CCN(CCN(CC)S(=O)(=O)c1ccc(OC)cc1)c1nc(Cc2ccccc2OC)ns1.
What is the InChIKey of N-ethyl-N-[2-[ethyl-[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is RDOYENKWVXZQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S2/c1-5-26(23-24-22(25-32-23)17-18-9-7-8-10-21(18)31-4)15-16-27(6-2)33(28,29)20-13-11-19(30-3)12-14-20/h7-14H,5-6,15-17H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[ethyl-[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-4-methoxybenzenesulfonamide?
N-ethyl-N-[2-[ethyl-[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 490.65 g/mol, XLogP of 3.68, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[ethyl-[3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 66878627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).