N-(4-aminothiophen-3-yl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide

C20H18N4O2S2 — CID 10295050

IUPACN-(4-aminothiophen-3-yl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide
SMILESCOc1ccc2nc(SCc3ccc(C(=O)Nc4cscc4N)cc3)[nH]c2c1
InChIInChI=1S/C20H18N4O2S2/c1-26-14-6-7-16-17(8-14)24-20(23-16)28-9-12-2-4-13(5-3-12)19(25)22-18-11-27-10-15(18)21/h2-8,10-11H,9,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyFFQHOAVYSDJKCS-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.76
Rot. Bonds6

About N-(4-aminothiophen-3-yl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide

N-(4-aminothiophen-3-yl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide (PubChem CID 10295050) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(4-aminothiophen-3-yl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(4-aminothiophen-3-yl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide
PubChem CID10295050
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC NameN-(4-aminothiophen-3-yl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide
SMILESCOc1ccc2nc(SCc3ccc(C(=O)Nc4cscc4N)cc3)[nH]c2c1
InChIInChI=1S/C20H18N4O2S2/c1-26-14-6-7-16-17(8-14)24-20(23-16)28-9-12-2-4-13(5-3-12)19(25)22-18-11-27-10-15(18)21/h2-8,10-11H,9,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyFFQHOAVYSDJKCS-UHFFFAOYSA-N
XLogP4.76
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(4-aminothiophen-3-yl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide with MolForge

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Related Compounds

N-(2,4-dimethylphenyl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide
CID 1269715
N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide
CID 40672353
4-chloro-N'-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 7152421
methyl 4-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzoate
CID 2369074
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide
CID 728051
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1348333
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-propylphenyl)ethanone
CID 7225507
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304
N-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfanylmethyl]benzamide;ethane
CID 143508693
3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid
CID 63639169
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 18266537

Frequently Asked Questions

What is the IUPAC name of N-(4-aminothiophen-3-yl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-(4-aminothiophen-3-yl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide (CID 10295050) is N-(4-aminothiophen-3-yl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(4-aminothiophen-3-yl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(4-aminothiophen-3-yl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide is COc1ccc2nc(SCc3ccc(C(=O)Nc4cscc4N)cc3)[nH]c2c1.
What is the InChIKey of N-(4-aminothiophen-3-yl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide?
The InChIKey is FFQHOAVYSDJKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-26-14-6-7-16-17(8-14)24-20(23-16)28-9-12-2-4-13(5-3-12)19(25)22-18-11-27-10-15(18)21/h2-8,10-11H,9,21H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(4-aminothiophen-3-yl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide?
N-(4-aminothiophen-3-yl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide has a molecular weight of 410.52 g/mol, XLogP of 4.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminothiophen-3-yl)-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 10295050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).