N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

C25H25N5O4S — CID 154837119

IUPACN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCN1CCCc2cc(CNC(=O)c3ccc(NS(=O)(=O)c4ccc5[nH]c(=O)[nH]c5c4)cc3)ccc21
InChIInChI=1S/C25H25N5O4S/c1-30-12-2-3-18-13-16(4-11-23(18)30)15-26-24(31)17-5-7-19(8-6-17)29-35(33,34)20-9-10-21-22(14-20)28-25(32)27-21/h4-11,13-14,29H,2-3,12,15H2,1H3,(H,26,31)(H2,27,28,32)
InChIKeySYCXTASXIKWBNH-UHFFFAOYSA-N
MW491.57 g/mol
LogP2.97
Rot. Bonds6

About N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (PubChem CID 154837119) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
PubChem CID154837119
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC NameN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCN1CCCc2cc(CNC(=O)c3ccc(NS(=O)(=O)c4ccc5[nH]c(=O)[nH]c5c4)cc3)ccc21
InChIInChI=1S/C25H25N5O4S/c1-30-12-2-3-18-13-16(4-11-23(18)30)15-26-24(31)17-5-7-19(8-6-17)29-35(33,34)20-9-10-21-22(14-20)28-25(32)27-21/h4-11,13-14,29H,2-3,12,15H2,1H3,(H,26,31)(H2,27,28,32)
InChIKeySYCXTASXIKWBNH-UHFFFAOYSA-N
XLogP2.97
TPSA127.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
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CID 24687539
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
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4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25350812
N-(4-bromophenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 37165193
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 24818331
N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 25374262
N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248111
4-[(4-methylphenyl)sulfamoyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 26664033
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (CID 154837119) is N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is CN1CCCc2cc(CNC(=O)c3ccc(NS(=O)(=O)c4ccc5[nH]c(=O)[nH]c5c4)cc3)ccc21.
What is the InChIKey of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The InChIKey is SYCXTASXIKWBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-30-12-2-3-18-13-16(4-11-23(18)30)15-26-24(31)17-5-7-19(8-6-17)29-35(33,34)20-9-10-21-22(14-20)28-25(32)27-21/h4-11,13-14,29H,2-3,12,15H2,1H3,(H,26,31)(H2,27,28,32).
What are the key properties of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 491.57 g/mol, XLogP of 2.97, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 154837119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).