N-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide

C21H20N4O3S2 — CID 67113911

IUPACN-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1Cn1cc(-c2cccc(NS(=O)(=O)c3cccs3)c2)nc1N
InChIInChI=1S/C21H20N4O3S2/c1-28-19-9-3-2-6-16(19)13-25-14-18(23-21(25)22)15-7-4-8-17(12-15)24-30(26,27)20-10-5-11-29-20/h2-12,14,24H,13H2,1H3,(H2,22,23)
InChIKeyOZPOANNIGDZXAQ-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.05
Rot. Bonds7

About N-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide

N-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide (PubChem CID 67113911) has the molecular formula C21H20N4O3S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide
PubChem CID67113911
Molecular FormulaC21H20N4O3S2
Molecular Weight440.55 g/mol
Exact Mass440.10
IUPAC NameN-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1Cn1cc(-c2cccc(NS(=O)(=O)c3cccs3)c2)nc1N
InChIInChI=1S/C21H20N4O3S2/c1-28-19-9-3-2-6-16(19)13-25-14-18(23-21(25)22)15-7-4-8-17(12-15)24-30(26,27)20-10-5-11-29-20/h2-12,14,24H,13H2,1H3,(H2,22,23)
InChIKeyOZPOANNIGDZXAQ-UHFFFAOYSA-N
XLogP4.05
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-sulfonamide
CID 122283303
N-[3-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7553601
N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
CID 66617057
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027386
N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide
CID 27301138
N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide
CID 155557473
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
N-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7524020
4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride
CID 67113669
[amino-(thiophen-2-ylsulfonylamino)methylidene]-[2-(2-methoxyphenyl)ethyl]azanium
CID 7197527
N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-sulfonamide
CID 39839792
N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7520734

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide (CID 67113911) is N-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide is COc1ccccc1Cn1cc(-c2cccc(NS(=O)(=O)c3cccs3)c2)nc1N.
What is the InChIKey of N-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide?
The InChIKey is OZPOANNIGDZXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S2/c1-28-19-9-3-2-6-16(19)13-25-14-18(23-21(25)22)15-7-4-8-17(12-15)24-30(26,27)20-10-5-11-29-20/h2-12,14,24H,13H2,1H3,(H2,22,23).
What are the key properties of N-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide?
N-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide has a molecular weight of 440.55 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-1-[(2-methoxyphenyl)methyl]imidazol-4-yl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 67113911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).