5-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]thiophene-2-sulfonamide

C17H22N2O3S2 — CID 136525099

IUPAC5-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(C)N3CCOCC3)cc2)s1
InChIInChI=1S/C17H22N2O3S2/c1-13-3-8-17(23-13)24(20,21)18-16-6-4-15(5-7-16)14(2)19-9-11-22-12-10-19/h3-8,14,18H,9-12H2,1-2H3
InChIKeyPRNYDQFCIJGNAP-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.25
Rot. Bonds5

About 5-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]thiophene-2-sulfonamide

5-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 136525099) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 5-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]thiophene-2-sulfonamide
PubChem CID136525099
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC Name5-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(C)N3CCOCC3)cc2)s1
InChIInChI=1S/C17H22N2O3S2/c1-13-3-8-17(23-13)24(20,21)18-16-6-4-15(5-7-16)14(2)19-9-11-22-12-10-19/h3-8,14,18H,9-12H2,1-2H3
InChIKeyPRNYDQFCIJGNAP-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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Related Compounds

5-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
CID 112502723
5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]thiophene-2-sulfonamide
CID 110363635
5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 46968756
5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 47310549
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064
5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 112981153
N-[4-(bromomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 113271534
2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
CID 119878378
4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine
CID 126430266
(2R)-2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
CID 119878404
5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide
CID 110729387
4-(1-morpholin-4-ylethyl)aniline
CID 50987527

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]thiophene-2-sulfonamide (CID 136525099) is 5-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(C)N3CCOCC3)cc2)s1.
What is the InChIKey of 5-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is PRNYDQFCIJGNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-13-3-8-17(23-13)24(20,21)18-16-6-4-15(5-7-16)14(2)19-9-11-22-12-10-19/h3-8,14,18H,9-12H2,1-2H3.
What are the key properties of 5-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]thiophene-2-sulfonamide?
5-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]thiophene-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 5-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 136525099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).