N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C23H28N4O5S — CID 167744908

IUPACN-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C23H28N4O5S/c1-14(2)12-18(24-21(28)17-9-7-6-8-15(17)3)22(29)25-33(31,32)16-10-11-19-20(13-16)27(5)23(30)26(19)4/h6-11,13-14,18H,12H2,1-5H3,(H,24,28)(H,25,29)
InChIKeyBWKYDUMBPNPAQY-UHFFFAOYSA-N
MW472.57 g/mol
LogP1.84
Rot. Bonds7

About N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 167744908) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID167744908
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC NameN-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C23H28N4O5S/c1-14(2)12-18(24-21(28)17-9-7-6-8-15(17)3)22(29)25-33(31,32)16-10-11-19-20(13-16)27(5)23(30)26(19)4/h6-11,13-14,18H,12H2,1-5H3,(H,24,28)(H,25,29)
InChIKeyBWKYDUMBPNPAQY-UHFFFAOYSA-N
XLogP1.84
TPSA119.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide with MolForge

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Related Compounds

N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 49199808
2-methyl-N-[4-methyl-1-oxo-1-(1,2,4-triazol-4-ylamino)pentan-2-yl]benzamide
CID 75413015
N-[1-(4-acetyl-1,4-diazepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 134061617
2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide
CID 119402573
(3S)-3-[[(2S)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]butanoic acid
CID 97072625
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-2-methylbenzamide
CID 164625109
2-methyl-N-[4-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxopentan-2-yl]benzamide
CID 43054523
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431
N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78774150
2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid
CID 119187975

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 167744908) is N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is BWKYDUMBPNPAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-14(2)12-18(24-21(28)17-9-7-6-8-15(17)3)22(29)25-33(31,32)16-10-11-19-20(13-16)27(5)23(30)26(19)4/h6-11,13-14,18H,12H2,1-5H3,(H,24,28)(H,25,29).
What are the key properties of N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 472.57 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 167744908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).