N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide

C15H19NO4S2 — CID 110789678

IUPACN-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1cc(CCNS(=O)(=O)c2cccs2)c(OC)cc1C
InChIInChI=1S/C15H19NO4S2/c1-11-9-14(20-3)12(10-13(11)19-2)6-7-16-22(17,18)15-5-4-8-21-15/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyMQKIFRFVRIRFMB-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.59
Rot. Bonds7

About N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide

N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 110789678) has the molecular formula C15H19NO4S2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID110789678
Molecular FormulaC15H19NO4S2
Molecular Weight341.45 g/mol
Exact Mass341.08
IUPAC NameN-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1cc(CCNS(=O)(=O)c2cccs2)c(OC)cc1C
InChIInChI=1S/C15H19NO4S2/c1-11-9-14(20-3)12(10-13(11)19-2)6-7-16-22(17,18)15-5-4-8-21-15/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyMQKIFRFVRIRFMB-UHFFFAOYSA-N
XLogP2.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110601518
N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide
CID 35606425
N-[2-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110605316
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 7119085
N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide
CID 110792001
N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 110789033
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide
CID 110788053
N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 110666587
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 6457434
5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 103739636
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 36749120

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide (CID 110789678) is N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide is COc1cc(CCNS(=O)(=O)c2cccs2)c(OC)cc1C.
What is the InChIKey of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is MQKIFRFVRIRFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S2/c1-11-9-14(20-3)12(10-13(11)19-2)6-7-16-22(17,18)15-5-4-8-21-15/h4-5,8-10,16H,6-7H2,1-3H3.
What are the key properties of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide?
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 341.45 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110789678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).