5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide

C18H22N2O4S2 — CID 110352750

IUPAC5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCOC(C)C3)cc2)s1
InChIInChI=1S/C18H22N2O4S2/c1-3-16-8-9-17(25-16)26(22,23)19-15-6-4-14(5-7-15)18(21)20-10-11-24-13(2)12-20/h4-9,13,19H,3,10-12H2,1-2H3
InChIKeyTXHVWBUWQPNCFM-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.97
Rot. Bonds5

About 5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide

5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide (PubChem CID 110352750) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
PubChem CID110352750
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCOC(C)C3)cc2)s1
InChIInChI=1S/C18H22N2O4S2/c1-3-16-8-9-17(25-16)26(22,23)19-15-6-4-14(5-7-15)18(21)20-10-11-24-13(2)12-20/h4-9,13,19H,3,10-12H2,1-2H3
InChIKeyTXHVWBUWQPNCFM-UHFFFAOYSA-N
XLogP2.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193
N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 46674476
[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 62173081
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide
CID 110352756
(2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide
CID 95772641
3-methyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110352683
4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 41247466
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
5-ethyl-N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 61454703
4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 18108400
N-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide
CID 70728076
4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 24575619

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide (CID 110352750) is 5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCOC(C)C3)cc2)s1.
What is the InChIKey of 5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is TXHVWBUWQPNCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-3-16-8-9-17(25-16)26(22,23)19-15-6-4-14(5-7-15)18(21)20-10-11-24-13(2)12-20/h4-9,13,19H,3,10-12H2,1-2H3.
What are the key properties of 5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide?
5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 394.52 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110352750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).