5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide

C16H21NO5S2 — CID 113096502

IUPAC5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1cc(CCNS(=O)(=O)c2ccc(C)s2)c(OC)c(OC)c1
InChIInChI=1S/C16H21NO5S2/c1-11-5-6-15(23-11)24(18,19)17-8-7-12-9-13(20-2)10-14(21-3)16(12)22-4/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyVINCABUBXPGCOP-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.60
Rot. Bonds8

About 5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide

5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 113096502) has the molecular formula C16H21NO5S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID113096502
Molecular FormulaC16H21NO5S2
Molecular Weight371.48 g/mol
Exact Mass371.09
IUPAC Name5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1cc(CCNS(=O)(=O)c2ccc(C)s2)c(OC)c(OC)c1
InChIInChI=1S/C16H21NO5S2/c1-11-5-6-15(23-11)24(18,19)17-8-7-12-9-13(20-2)10-14(21-3)16(12)22-4/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyVINCABUBXPGCOP-UHFFFAOYSA-N
XLogP2.60
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110408836
2-methoxy-5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzenesulfonamide
CID 113096499
N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 87032979
5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide
CID 113101290
N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110601518
N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 18191077
N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113061353
N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30365965
N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 110371546
5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 103739636
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 55873109
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 86984257

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide (CID 113096502) is 5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide is COc1cc(CCNS(=O)(=O)c2ccc(C)s2)c(OC)c(OC)c1.
What is the InChIKey of 5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is VINCABUBXPGCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5S2/c1-11-5-6-15(23-11)24(18,19)17-8-7-12-9-13(20-2)10-14(21-3)16(12)22-4/h5-6,9-10,17H,7-8H2,1-4H3.
What are the key properties of 5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide?
5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 371.48 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113096502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).