N-[4-(4-ethylmorpholin-2-yl)phenyl]-5-methylthiophene-2-sulfonamide

C17H22N2O3S2 — CID 24815628

IUPACN-[4-(4-ethylmorpholin-2-yl)phenyl]-5-methylthiophene-2-sulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(C)s3)cc2)C1
InChIInChI=1S/C17H22N2O3S2/c1-3-19-10-11-22-16(12-19)14-5-7-15(8-6-14)18-24(20,21)17-9-4-13(2)23-17/h4-9,16,18H,3,10-12H2,1-2H3
InChIKeyPHOKSNWYAOAPPK-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.25
Rot. Bonds5

About N-[4-(4-ethylmorpholin-2-yl)phenyl]-5-methylthiophene-2-sulfonamide

N-[4-(4-ethylmorpholin-2-yl)phenyl]-5-methylthiophene-2-sulfonamide (PubChem CID 24815628) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[4-(4-ethylmorpholin-2-yl)phenyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethylmorpholin-2-yl)phenyl]-5-methylthiophene-2-sulfonamide
PubChem CID24815628
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-[4-(4-ethylmorpholin-2-yl)phenyl]-5-methylthiophene-2-sulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(C)s3)cc2)C1
InChIInChI=1S/C17H22N2O3S2/c1-3-19-10-11-22-16(12-19)14-5-7-15(8-6-14)18-24(20,21)17-9-4-13(2)23-17/h4-9,16,18H,3,10-12H2,1-2H3
InChIKeyPHOKSNWYAOAPPK-UHFFFAOYSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylmorpholin-2-yl)phenyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[4-(4-ethylmorpholin-2-yl)phenyl]-5-methylthiophene-2-sulfonamide (CID 24815628) is N-[4-(4-ethylmorpholin-2-yl)phenyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(4-ethylmorpholin-2-yl)phenyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[4-(4-ethylmorpholin-2-yl)phenyl]-5-methylthiophene-2-sulfonamide is CCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(C)s3)cc2)C1.
What is the InChIKey of N-[4-(4-ethylmorpholin-2-yl)phenyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is PHOKSNWYAOAPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-3-19-10-11-22-16(12-19)14-5-7-15(8-6-14)18-24(20,21)17-9-4-13(2)23-17/h4-9,16,18H,3,10-12H2,1-2H3.
What are the key properties of N-[4-(4-ethylmorpholin-2-yl)phenyl]-5-methylthiophene-2-sulfonamide?
N-[4-(4-ethylmorpholin-2-yl)phenyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 366.51 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylmorpholin-2-yl)phenyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 24815628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).