N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide

C14H17NO4S2 — CID 110601518

IUPACN-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C14H17NO4S2/c1-18-12-6-5-11(13(10-12)19-2)7-8-15-21(16,17)14-4-3-9-20-14/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyNUGWTPCBEDPAKK-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.29
Rot. Bonds7

About N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide

N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 110601518) has the molecular formula C14H17NO4S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID110601518
Molecular FormulaC14H17NO4S2
Molecular Weight327.43 g/mol
Exact Mass327.06
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C14H17NO4S2/c1-18-12-6-5-11(13(10-12)19-2)7-8-15-21(16,17)14-4-3-9-20-14/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyNUGWTPCBEDPAKK-UHFFFAOYSA-N
XLogP2.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 110789678
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110408836
4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 110601508
N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 47330584
N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 110789033
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836941
3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 110601522
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-[2-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110605316
N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55578020
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 7119085
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide (CID 110601518) is N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide is COc1ccc(CCNS(=O)(=O)c2cccs2)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is NUGWTPCBEDPAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S2/c1-18-12-6-5-11(13(10-12)19-2)7-8-15-21(16,17)14-4-3-9-20-14/h3-6,9-10,15H,7-8H2,1-2H3.
What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide?
N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 327.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110601518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).