N-butan-2-yl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

C18H20N4O4S — CID 24677541

IUPACN-butan-2-yl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C18H20N4O4S/c1-3-11(2)19-17(23)12-4-6-13(7-5-12)22-27(25,26)14-8-9-15-16(10-14)21-18(24)20-15/h4-11,22H,3H2,1-2H3,(H,19,23)(H2,20,21,24)
InChIKeyZVLPJSQYRDKBRL-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.19
Rot. Bonds6

About N-butan-2-yl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

N-butan-2-yl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (PubChem CID 24677541) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-butan-2-yl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
PubChem CID24677541
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN-butan-2-yl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C18H20N4O4S/c1-3-11(2)19-17(23)12-4-6-13(7-5-12)22-27(25,26)14-8-9-15-16(10-14)21-18(24)20-15/h4-11,22H,3H2,1-2H3,(H,19,23)(H2,20,21,24)
InChIKeyZVLPJSQYRDKBRL-UHFFFAOYSA-N
XLogP2.19
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The IUPAC name of N-butan-2-yl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (CID 24677541) is N-butan-2-yl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for N-butan-2-yl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is CCC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-butan-2-yl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The InChIKey is ZVLPJSQYRDKBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-3-11(2)19-17(23)12-4-6-13(7-5-12)22-27(25,26)14-8-9-15-16(10-14)21-18(24)20-15/h4-11,22H,3H2,1-2H3,(H,19,23)(H2,20,21,24).
What are the key properties of N-butan-2-yl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
N-butan-2-yl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 388.45 g/mol, XLogP of 2.19, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 24677541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).