N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide

C19H20N2O3S2 — CID 112983618

IUPACN-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide
SMILESCOc1cccc(CCNc2ccc(NS(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C19H20N2O3S2/c1-24-18-5-2-4-15(14-18)11-12-20-16-7-9-17(10-8-16)21-26(22,23)19-6-3-13-25-19/h2-10,13-14,20-21H,11-12H2,1H3
InChIKeyPXKXTPFRYKKCGY-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.21
Rot. Bonds8

About N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide

N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide (PubChem CID 112983618) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide
PubChem CID112983618
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC NameN-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide
SMILESCOc1cccc(CCNc2ccc(NS(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C19H20N2O3S2/c1-24-18-5-2-4-15(14-18)11-12-20-16-7-9-17(10-8-16)21-26(22,23)19-6-3-13-25-19/h2-10,13-14,20-21H,11-12H2,1H3
InChIKeyPXKXTPFRYKKCGY-UHFFFAOYSA-N
XLogP4.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide
CID 112984772
N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide
CID 112981383
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1092869
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanesulfonamide
CID 113028442
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 5002728
N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide
CID 27301138
4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline
CID 166807516
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113028450
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55955386
6-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-3-amine
CID 23440804
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113048262

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide (CID 112983618) is N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide is COc1cccc(CCNc2ccc(NS(=O)(=O)c3cccs3)cc2)c1.
What is the InChIKey of N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide?
The InChIKey is PXKXTPFRYKKCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-24-18-5-2-4-15(14-18)11-12-20-16-7-9-17(10-8-16)21-26(22,23)19-6-3-13-25-19/h2-10,13-14,20-21H,11-12H2,1H3.
What are the key properties of N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide?
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide has a molecular weight of 388.51 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112983618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).