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

C24H23N5O5S — CID 27226960

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1
InChIInChI=1S/C24H23N5O5S/c1-15-3-7-17(8-4-15)25-22(30)14-29(2)23(31)16-5-9-18(10-6-16)28-35(33,34)19-11-12-20-21(13-19)27-24(32)26-20/h3-13,28H,14H2,1-2H3,(H,25,30)(H2,26,27,32)
InChIKeyDZIZIOHXBWATAJ-UHFFFAOYSA-N
MW493.55 g/mol
LogP2.68
Rot. Bonds7

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

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (PubChem CID 27226960) has the molecular formula C24H23N5O5S and a molecular weight of 493.55 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
PubChem CID27226960
Molecular FormulaC24H23N5O5S
Molecular Weight493.55 g/mol
Exact Mass493.14
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1
InChIInChI=1S/C24H23N5O5S/c1-15-3-7-17(8-4-15)25-22(30)14-29(2)23(31)16-5-9-18(10-6-16)28-35(33,34)19-11-12-20-21(13-19)27-24(32)26-20/h3-13,28H,14H2,1-2H3,(H,25,30)(H2,26,27,32)
InChIKeyDZIZIOHXBWATAJ-UHFFFAOYSA-N
XLogP2.68
TPSA144.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (CID 27226960) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The InChIKey is DZIZIOHXBWATAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5S/c1-15-3-7-17(8-4-15)25-22(30)14-29(2)23(31)16-5-9-18(10-6-16)28-35(33,34)19-11-12-20-21(13-19)27-24(32)26-20/h3-13,28H,14H2,1-2H3,(H,25,30)(H2,26,27,32).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 493.55 g/mol, XLogP of 2.68, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 27226960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).