4-methyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide

C18H24N2O3S2 — CID 12006138

IUPAC4-methyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C18H24N2O3S2/c1-14-5-7-16(8-6-14)25(21,22)19-15(2)18(17-4-3-13-24-17)20-9-11-23-12-10-20/h3-8,13,15,18-19H,9-12H2,1-2H3
InChIKeyOESLHSHWMJLNRQ-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.80
Rot. Bonds6

About 4-methyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide

4-methyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (PubChem CID 12006138) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 4-methyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
PubChem CID12006138
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC Name4-methyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C18H24N2O3S2/c1-14-5-7-16(8-6-14)25(21,22)19-15(2)18(17-4-3-13-24-17)20-9-11-23-12-10-20/h3-8,13,15,18-19H,9-12H2,1-2H3
InChIKeyOESLHSHWMJLNRQ-UHFFFAOYSA-N
XLogP2.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (CID 12006138) is 4-methyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)C(c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of 4-methyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is OESLHSHWMJLNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-14-5-7-16(8-6-14)25(21,22)19-15(2)18(17-4-3-13-24-17)20-9-11-23-12-10-20/h3-8,13,15,18-19H,9-12H2,1-2H3.
What are the key properties of 4-methyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
4-methyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 380.54 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 12006138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).