4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide

C20H25N3O4S — CID 43007121

IUPAC4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-13(2)12-18(23-28(26,27)17-10-4-14(3)5-11-17)20(25)22-16-8-6-15(7-9-16)19(21)24/h4-11,13,18,23H,12H2,1-3H3,(H2,21,24)(H,22,25)
InChIKeyHYOJIBAFPZJRHH-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.43
Rot. Bonds8

About 4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide

4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide (PubChem CID 43007121) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide
PubChem CID43007121
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-13(2)12-18(23-28(26,27)17-10-4-14(3)5-11-17)20(25)22-16-8-6-15(7-9-16)19(21)24/h4-11,13,18,23H,12H2,1-3H3,(H2,21,24)(H,22,25)
InChIKeyHYOJIBAFPZJRHH-UHFFFAOYSA-N
XLogP2.43
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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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Related Compounds

methyl 4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzoate
CID 7965936
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 8897361
(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide
CID 7910463
(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 9219440
(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide
CID 9411090
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(1,2,4-triazol-1-yl)phenyl]pentanamide
CID 55561341
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pentanamide
CID 56557800
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)pentanamide
CID 43016745
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 47739085
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 51144065

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide?
The IUPAC name of 4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide (CID 43007121) is 4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide.
What is the SMILES notation for 4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide?
The canonical SMILES for 4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide is Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide?
The InChIKey is HYOJIBAFPZJRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13(2)12-18(23-28(26,27)17-10-4-14(3)5-11-17)20(25)22-16-8-6-15(7-9-16)19(21)24/h4-11,13,18,23H,12H2,1-3H3,(H2,21,24)(H,22,25).
What are the key properties of 4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide?
4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzamide is sourced from PubChem (CID 43007121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).