2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide

C21H27N3O5S — CID 132670001

IUPAC2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide
SMILESCOc1cccc(N(C(C)C(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C21H27N3O5S/c1-14(2)22-21(26)18-11-6-7-12-19(18)23-20(25)15(3)24(30(5,27)28)16-9-8-10-17(13-16)29-4/h6-15H,1-5H3,(H,22,26)(H,23,25)
InChIKeyWUDXEUZCNHZWSJ-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.63
Rot. Bonds8

About 2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide

2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide (PubChem CID 132670001) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide
PubChem CID132670001
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide
SMILESCOc1cccc(N(C(C)C(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C21H27N3O5S/c1-14(2)22-21(26)18-11-6-7-12-19(18)23-20(25)15(3)24(30(5,27)28)16-9-8-10-17(13-16)29-4/h6-15H,1-5H3,(H,22,26)(H,23,25)
InChIKeyWUDXEUZCNHZWSJ-UHFFFAOYSA-N
XLogP2.63
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
CID 124581512
2-[[(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
CID 2231853
2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
CID 2239247
N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132656635
N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132671548
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 125044125
2-(3-methoxy-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133224766
ethyl 2-[[(2S)-2-(4-methoxy-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 1004380
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 125072382
(2R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 125059418
2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 132670775
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 125083726

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide (CID 132670001) is 2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide is COc1cccc(N(C(C)C(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)c1.
What is the InChIKey of 2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide?
The InChIKey is WUDXEUZCNHZWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-14(2)22-21(26)18-11-6-7-12-19(18)23-20(25)15(3)24(30(5,27)28)16-9-8-10-17(13-16)29-4/h6-15H,1-5H3,(H,22,26)(H,23,25).
What are the key properties of 2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide?
2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide has a molecular weight of 433.53 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 132670001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).