5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide

C16H20N2O3S2 — CID 46968756

IUPAC5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(CN3CCOCC3)c2)s1
InChIInChI=1S/C16H20N2O3S2/c1-13-5-6-16(22-13)23(19,20)17-15-4-2-3-14(11-15)12-18-7-9-21-10-8-18/h2-6,11,17H,7-10,12H2,1H3
InChIKeyIELSARSZCLYTSI-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.69
Rot. Bonds5

About 5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide

5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 46968756) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
PubChem CID46968756
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC Name5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(CN3CCOCC3)c2)s1
InChIInChI=1S/C16H20N2O3S2/c1-13-5-6-16(22-13)23(19,20)17-15-4-2-3-14(11-15)12-18-7-9-21-10-8-18/h2-6,11,17H,7-10,12H2,1H3
InChIKeyIELSARSZCLYTSI-UHFFFAOYSA-N
XLogP2.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 51698921
3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 91650297
3-[3-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid
CID 115339486
5-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-sulfonamide
CID 38941309
5-ethyl-N-(3-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 110362404
5-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]thiophene-2-sulfonamide
CID 136525099
5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide
CID 110726306
4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
CID 169370271
5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]thiophene-2-sulfonamide
CID 110363635
N-butyl-3-(morpholin-4-ylmethyl)aniline
CID 174541370
N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 16887802
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 94136143

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide (CID 46968756) is 5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(CN3CCOCC3)c2)s1.
What is the InChIKey of 5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is IELSARSZCLYTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-13-5-6-16(22-13)23(19,20)17-15-4-2-3-14(11-15)12-18-7-9-21-10-8-18/h2-6,11,17H,7-10,12H2,1H3.
What are the key properties of 5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide?
5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 352.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 46968756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).