N-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide

C22H27N3O4S — CID 2956335

IUPACN-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide
SMILESCN(c1ccccc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C22H27N3O4S/c1-25(30(2,28)29)20-15-9-7-13-18(20)22(27)24-19-14-8-6-12-17(19)21(26)23-16-10-4-3-5-11-16/h6-9,12-16H,3-5,10-11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyNFTDBKIJASUPBJ-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.40
Rot. Bonds6

About N-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide

N-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide (PubChem CID 2956335) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide
PubChem CID2956335
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide
SMILESCN(c1ccccc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C22H27N3O4S/c1-25(30(2,28)29)20-15-9-7-13-18(20)22(27)24-19-14-8-6-12-17(19)21(26)23-16-10-4-3-5-11-16/h6-9,12-16H,3-5,10-11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyNFTDBKIJASUPBJ-UHFFFAOYSA-N
XLogP3.40
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 100509528
N-cyclohexyl-2-[(2-ethoxybenzoyl)amino]benzamide
CID 4926381
N-[2-(cyclohexylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 100720174
2-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
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N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
CID 18144899
methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178227
N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 100680992
2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 1322673
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
N-cycloheptyl-2-(propan-2-ylamino)benzamide
CID 63107657
1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]urea
CID 113093625

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide (CID 2956335) is N-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide is CN(c1ccccc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide?
The InChIKey is NFTDBKIJASUPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-25(30(2,28)29)20-15-9-7-13-18(20)22(27)24-19-14-8-6-12-17(19)21(26)23-16-10-4-3-5-11-16/h6-9,12-16H,3-5,10-11H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide?
N-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide has a molecular weight of 429.54 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide is sourced from PubChem (CID 2956335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).