N-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide

C15H26N2O3S — CID 103901936

IUPACN-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC(C)CCc1ccc(OC)cc1
InChIInChI=1S/C15H26N2O3S/c1-4-17-21(18,19)12-11-16-13(2)5-6-14-7-9-15(20-3)10-8-14/h7-10,13,16-17H,4-6,11-12H2,1-3H3
InChIKeyJFUCOWJGLSKQJI-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.55
Rot. Bonds10

About N-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide

N-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide (PubChem CID 103901936) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide
PubChem CID103901936
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC(C)CCc1ccc(OC)cc1
InChIInChI=1S/C15H26N2O3S/c1-4-17-21(18,19)12-11-16-13(2)5-6-14-7-9-15(20-3)10-8-14/h7-10,13,16-17H,4-6,11-12H2,1-3H3
InChIKeyJFUCOWJGLSKQJI-UHFFFAOYSA-N
XLogP1.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 43754790
4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine
CID 115720927
1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol
CID 115719297
N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43178052
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
3-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-1,1-dimethylurea
CID 83107943
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 83188272
4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine
CID 115896171
N-[(4-methoxyphenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106058738
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395
(2S)-4-(4-methylphenyl)-N-(2-methylsulfonylethyl)butan-2-amine
CID 97230944

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide (CID 103901936) is N-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide is CCNS(=O)(=O)CCNC(C)CCc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide?
The InChIKey is JFUCOWJGLSKQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-17-21(18,19)12-11-16-13(2)5-6-14-7-9-15(20-3)10-8-14/h7-10,13,16-17H,4-6,11-12H2,1-3H3.
What are the key properties of N-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide?
N-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide is sourced from PubChem (CID 103901936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).