2,5-dimethyl-N-propan-2-yl-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide

C20H33N3O4S — CID 20630979

IUPAC2,5-dimethyl-N-propan-2-yl-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide
SMILESCc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)c(C)c(C(=O)NC(C)C)c1
InChIInChI=1S/C20H33N3O4S/c1-13(2)22-20(25)17-11-15(5)12-18(16(17)6)23-19(24)9-7-8-10-21-28(26,27)14(3)4/h11-14,21H,7-10H2,1-6H3,(H,22,25)(H,23,24)
InChIKeyMCIDDQSXKGYLFY-UHFFFAOYSA-N
MW411.57 g/mol
LogP2.88
Rot. Bonds10

About 2,5-dimethyl-N-propan-2-yl-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide

2,5-dimethyl-N-propan-2-yl-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide (PubChem CID 20630979) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is 2,5-dimethyl-N-propan-2-yl-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-propan-2-yl-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide
PubChem CID20630979
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC Name2,5-dimethyl-N-propan-2-yl-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide
SMILESCc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)c(C)c(C(=O)NC(C)C)c1
InChIInChI=1S/C20H33N3O4S/c1-13(2)22-20(25)17-11-15(5)12-18(16(17)6)23-19(24)9-7-8-10-21-28(26,27)14(3)4/h11-14,21H,7-10H2,1-6H3,(H,22,25)(H,23,24)
InChIKeyMCIDDQSXKGYLFY-UHFFFAOYSA-N
XLogP2.88
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-propan-2-yl-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide?
The IUPAC name of 2,5-dimethyl-N-propan-2-yl-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide (CID 20630979) is 2,5-dimethyl-N-propan-2-yl-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-propan-2-yl-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide?
The canonical SMILES for 2,5-dimethyl-N-propan-2-yl-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide is Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)c(C)c(C(=O)NC(C)C)c1.
What is the InChIKey of 2,5-dimethyl-N-propan-2-yl-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide?
The InChIKey is MCIDDQSXKGYLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-13(2)22-20(25)17-11-15(5)12-18(16(17)6)23-19(24)9-7-8-10-21-28(26,27)14(3)4/h11-14,21H,7-10H2,1-6H3,(H,22,25)(H,23,24).
What are the key properties of 2,5-dimethyl-N-propan-2-yl-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide?
2,5-dimethyl-N-propan-2-yl-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide has a molecular weight of 411.57 g/mol, XLogP of 2.88, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-propan-2-yl-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide is sourced from PubChem (CID 20630979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).