N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

C25H25N5O5S — CID 24979656

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C25H25N5O5S/c1-15-5-4-6-16(2)23(15)28-22(31)14-30(3)24(32)17-7-9-18(10-8-17)29-36(34,35)19-11-12-20-21(13-19)27-25(33)26-20/h4-13,29H,14H2,1-3H3,(H,28,31)(H2,26,27,33)
InChIKeyYCHZWTTVQCEUAM-UHFFFAOYSA-N
MW507.57 g/mol
LogP2.98
Rot. Bonds7

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

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (PubChem CID 24979656) has the molecular formula C25H25N5O5S and a molecular weight of 507.57 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
PubChem CID24979656
Molecular FormulaC25H25N5O5S
Molecular Weight507.57 g/mol
Exact Mass507.16
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C25H25N5O5S/c1-15-5-4-6-16(2)23(15)28-22(31)14-30(3)24(32)17-7-9-18(10-8-17)29-36(34,35)19-11-12-20-21(13-19)27-25(33)26-20/h4-13,29H,14H2,1-3H3,(H,28,31)(H2,26,27,33)
InChIKeyYCHZWTTVQCEUAM-UHFFFAOYSA-N
XLogP2.98
TPSA144.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.57
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (CID 24979656) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The InChIKey is YCHZWTTVQCEUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O5S/c1-15-5-4-6-16(2)23(15)28-22(31)14-30(3)24(32)17-7-9-18(10-8-17)29-36(34,35)19-11-12-20-21(13-19)27-25(33)26-20/h4-13,29H,14H2,1-3H3,(H,28,31)(H2,26,27,33).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 507.57 g/mol, XLogP of 2.98, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 24979656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).