2-methyl-N-[4-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide

C20H25N3O4S — CID 3974471

IUPAC2-methyl-N-[4-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H25N3O4S/c1-13(2)12-18(23-19(24)17-7-5-4-6-14(17)3)20(25)22-15-8-10-16(11-9-15)28(21,26)27/h4-11,13,18H,12H2,1-3H3,(H,22,25)(H,23,24)(H2,21,26,27)
InChIKeyFPAUEWHTTBLVDJ-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.43
Rot. Bonds7

About 2-methyl-N-[4-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide

2-methyl-N-[4-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide (PubChem CID 3974471) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide
PubChem CID3974471
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-methyl-N-[4-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H25N3O4S/c1-13(2)12-18(23-19(24)17-7-5-4-6-14(17)3)20(25)22-15-8-10-16(11-9-15)28(21,26)27/h4-11,13,18H,12H2,1-3H3,(H,22,25)(H,23,24)(H2,21,26,27)
InChIKeyFPAUEWHTTBLVDJ-UHFFFAOYSA-N
XLogP2.43
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[4-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide (CID 3974471) is 2-methyl-N-[4-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[4-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-methyl-N-[4-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide?
The InChIKey is FPAUEWHTTBLVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13(2)12-18(23-19(24)17-7-5-4-6-14(17)3)20(25)22-15-8-10-16(11-9-15)28(21,26)27/h4-11,13,18H,12H2,1-3H3,(H,22,25)(H,23,24)(H2,21,26,27).
What are the key properties of 2-methyl-N-[4-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide?
2-methyl-N-[4-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide is sourced from PubChem (CID 3974471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).