2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide

C23H22N4O4S2 — CID 132953917

IUPAC2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCOc1ccc2nc(SC(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c3ccccc3)[nH]c2c1
InChIInChI=1S/C23H22N4O4S2/c1-31-17-9-12-19-20(13-17)27-23(26-19)32-21(16-5-3-2-4-6-16)22(28)25-14-15-7-10-18(11-8-15)33(24,29)30/h2-13,21H,14H2,1H3,(H,25,28)(H,26,27)(H2,24,29,30)
InChIKeyVQXYMSUFEBVXMZ-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.37
Rot. Bonds8

About 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 132953917) has the molecular formula C23H22N4O4S2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID132953917
Molecular FormulaC23H22N4O4S2
Molecular Weight482.59 g/mol
Exact Mass482.11
IUPAC Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCOc1ccc2nc(SC(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c3ccccc3)[nH]c2c1
InChIInChI=1S/C23H22N4O4S2/c1-31-17-9-12-19-20(13-17)27-23(26-19)32-21(16-5-3-2-4-6-16)22(28)25-14-15-7-10-18(11-8-15)33(24,29)30/h2-13,21H,14H2,1H3,(H,25,28)(H,26,27)(H2,24,29,30)
InChIKeyVQXYMSUFEBVXMZ-UHFFFAOYSA-N
XLogP3.37
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 7152425
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 135646878
ethyl 4-[[(2R)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetyl]amino]benzoate
CID 92644423
(2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 40829927
2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2904729
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylpropyl)propanamide
CID 42985395
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1348333
(2R)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 40511290
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 46620892
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methoxyphenyl)-2-phenylacetamide
CID 7755983
(2S)-2-(4-fluorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 40808613
(2R)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetic acid
CID 6931602

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 132953917) is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide is COc1ccc2nc(SC(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is VQXYMSUFEBVXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S2/c1-31-17-9-12-19-20(13-17)27-23(26-19)32-21(16-5-3-2-4-6-16)22(28)25-14-15-7-10-18(11-8-15)33(24,29)30/h2-13,21H,14H2,1H3,(H,25,28)(H,26,27)(H2,24,29,30).
What are the key properties of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 482.59 g/mol, XLogP of 3.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 132953917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).