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

C22H17N5O5S — CID 30545604

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCc1nc2cc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)ccc2o1
InChIInChI=1S/C22H17N5O5S/c1-12-23-19-10-13(6-9-20(19)32-12)24-21(28)15-4-2-3-5-16(15)27-33(30,31)14-7-8-17-18(11-14)26-22(29)25-17/h2-11,27H,1H3,(H,24,28)(H2,25,26,29)
InChIKeyBXEDHBFPOAUOOI-UHFFFAOYSA-N
MW463.48 g/mol
LogP3.36
Rot. Bonds5

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

N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (PubChem CID 30545604) has the molecular formula C22H17N5O5S and a molecular weight of 463.48 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
PubChem CID30545604
Molecular FormulaC22H17N5O5S
Molecular Weight463.48 g/mol
Exact Mass463.10
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCc1nc2cc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)ccc2o1
InChIInChI=1S/C22H17N5O5S/c1-12-23-19-10-13(6-9-20(19)32-12)24-21(28)15-4-2-3-5-16(15)27-33(30,31)14-7-8-17-18(11-14)26-22(29)25-17/h2-11,27H,1H3,(H,24,28)(H2,25,26,29)
InChIKeyBXEDHBFPOAUOOI-UHFFFAOYSA-N
XLogP3.36
TPSA149.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 52556593
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CID 25335432
ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate
CID 56558807
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 34303904
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 42917034
N-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 26549596
N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide
CID 110760599
N-[2-(azetidine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 24658991
N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 25374262
N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
CID 30035454
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 25331426
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (CID 30545604) is N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is Cc1nc2cc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The InChIKey is BXEDHBFPOAUOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O5S/c1-12-23-19-10-13(6-9-20(19)32-12)24-21(28)15-4-2-3-5-16(15)27-33(30,31)14-7-8-17-18(11-14)26-22(29)25-17/h2-11,27H,1H3,(H,24,28)(H2,25,26,29).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 463.48 g/mol, XLogP of 3.36, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 30545604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).