N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide

C14H17NO4S2 — CID 7028776

IUPACN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1ccc(OC)c([C@H](C)NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H17NO4S2/c1-10(15-21(16,17)14-5-4-8-20-14)12-9-11(18-2)6-7-13(12)19-3/h4-10,15H,1-3H3/t10-/m0/s1
InChIKeyGJUDLWMWJAXYGL-JTQLQIEISA-N
MW327.43 g/mol
LogP2.80
Rot. Bonds6

About N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 7028776) has the molecular formula C14H17NO4S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID7028776
Molecular FormulaC14H17NO4S2
Molecular Weight327.43 g/mol
Exact Mass327.06
IUPAC NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1ccc(OC)c([C@H](C)NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H17NO4S2/c1-10(15-21(16,17)14-5-4-8-20-14)12-9-11(18-2)6-7-13(12)19-3/h4-10,15H,1-3H3/t10-/m0/s1
InChIKeyGJUDLWMWJAXYGL-JTQLQIEISA-N
XLogP2.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 51389866
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22206259
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 133219385
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133178714
4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 24671593
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22206237
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27883270
1-bromo-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 99616093
4-cyano-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 9190439
N-[5-[1-(2,5-dimethoxyphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133187650
5-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 9190490
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-nitrobenzenesulfonamide
CID 22206255

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide (CID 7028776) is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide is COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is GJUDLWMWJAXYGL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17NO4S2/c1-10(15-21(16,17)14-5-4-8-20-14)12-9-11(18-2)6-7-13(12)19-3/h4-10,15H,1-3H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide?
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 327.43 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 N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 7028776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).