N-phenyl-N-propan-2-yl-2-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C18H20N4O3S2 — CID 2366378

IUPACN-phenyl-N-propan-2-yl-2-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCC(C)N(C(=O)CSc1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1ccccc1
InChIInChI=1S/C18H20N4O3S2/c1-12(2)22(13-6-4-3-5-7-13)17(23)11-26-18-20-15-9-8-14(27(19,24)25)10-16(15)21-18/h3-10,12H,11H2,1-2H3,(H,20,21)(H2,19,24,25)
InChIKeyZBUDZTAMGNCPDO-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.74
Rot. Bonds6

About N-phenyl-N-propan-2-yl-2-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-phenyl-N-propan-2-yl-2-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 2366378) has the molecular formula C18H20N4O3S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is N-phenyl-N-propan-2-yl-2-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-phenyl-N-propan-2-yl-2-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID2366378
Molecular FormulaC18H20N4O3S2
Molecular Weight404.52 g/mol
Exact Mass404.10
IUPAC NameN-phenyl-N-propan-2-yl-2-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCC(C)N(C(=O)CSc1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1ccccc1
InChIInChI=1S/C18H20N4O3S2/c1-12(2)22(13-6-4-3-5-7-13)17(23)11-26-18-20-15-9-8-14(27(19,24)25)10-16(15)21-18/h3-10,12H,11H2,1-2H3,(H,20,21)(H2,19,24,25)
InChIKeyZBUDZTAMGNCPDO-UHFFFAOYSA-N
XLogP2.74
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride
CID 21179427
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 7624644
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 2161102
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 135524967
N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2483829
2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 2360952
methyl 4-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzoate
CID 2369074
2-(1H-benzimidazol-2-ylsulfanyl)-N,N-bis(2-methylpropyl)acetamide
CID 1282459
3-[5-oxo-3-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-4H-1,2,4-triazin-6-yl]propanoate
CID 135560926
2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 79128558
N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide
CID 2371257
N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 891266

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-propan-2-yl-2-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-phenyl-N-propan-2-yl-2-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 2366378) is N-phenyl-N-propan-2-yl-2-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-phenyl-N-propan-2-yl-2-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-phenyl-N-propan-2-yl-2-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is CC(C)N(C(=O)CSc1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1ccccc1.
What is the InChIKey of N-phenyl-N-propan-2-yl-2-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is ZBUDZTAMGNCPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S2/c1-12(2)22(13-6-4-3-5-7-13)17(23)11-26-18-20-15-9-8-14(27(19,24)25)10-16(15)21-18/h3-10,12H,11H2,1-2H3,(H,20,21)(H2,19,24,25).
What are the key properties of N-phenyl-N-propan-2-yl-2-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-phenyl-N-propan-2-yl-2-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 404.52 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-propan-2-yl-2-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2366378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).