N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide

C13H16N2O3S2 — CID 28754838

IUPACN-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OCCN)cc2)s1
InChIInChI=1S/C13H16N2O3S2/c1-10-2-7-13(19-10)20(16,17)15-11-3-5-12(6-4-11)18-9-8-14/h2-7,15H,8-9,14H2,1H3
InChIKeyYWUOLTDVKHBCSB-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.19
Rot. Bonds6

About N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide

N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide (PubChem CID 28754838) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide
PubChem CID28754838
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC NameN-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OCCN)cc2)s1
InChIInChI=1S/C13H16N2O3S2/c1-10-2-7-13(19-10)20(16,17)15-11-3-5-12(6-4-11)18-9-8-14/h2-7,15H,8-9,14H2,1H3
InChIKeyYWUOLTDVKHBCSB-UHFFFAOYSA-N
XLogP2.19
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 47310549
5-bromo-N-(4-propoxyphenyl)thiophene-2-sulfonamide
CID 62328183
N-[4-(bromomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 113271534
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064
N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30366287
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30867085
N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 18191077
N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 106911287
5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986153
5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide
CID 112980180
5-methyl-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 30867028
5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide
CID 112985267

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide (CID 28754838) is N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(OCCN)cc2)s1.
What is the InChIKey of N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is YWUOLTDVKHBCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-10-2-7-13(19-10)20(16,17)15-11-3-5-12(6-4-11)18-9-8-14/h2-7,15H,8-9,14H2,1H3.
What are the key properties of N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide?
N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 28754838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).