3-[(4-acetamidophenyl)sulfonylamino]-N-butan-2-yl-4-methylpentanamide

C18H29N3O4S — CID 3631615

IUPAC3-[(4-acetamidophenyl)sulfonylamino]-N-butan-2-yl-4-methylpentanamide
SMILESCCC(C)NC(=O)CC(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(C)C
InChIInChI=1S/C18H29N3O4S/c1-6-13(4)19-18(23)11-17(12(2)3)21-26(24,25)16-9-7-15(8-10-16)20-14(5)22/h7-10,12-13,17,21H,6,11H2,1-5H3,(H,19,23)(H,20,22)
InChIKeyYBXOBDYJJZMGEK-UHFFFAOYSA-N
MW383.51 g/mol
LogP2.25
Rot. Bonds9

About 3-[(4-acetamidophenyl)sulfonylamino]-N-butan-2-yl-4-methylpentanamide

3-[(4-acetamidophenyl)sulfonylamino]-N-butan-2-yl-4-methylpentanamide (PubChem CID 3631615) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 3-[(4-acetamidophenyl)sulfonylamino]-N-butan-2-yl-4-methylpentanamide.

Molecular Properties

Compound Name3-[(4-acetamidophenyl)sulfonylamino]-N-butan-2-yl-4-methylpentanamide
PubChem CID3631615
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name3-[(4-acetamidophenyl)sulfonylamino]-N-butan-2-yl-4-methylpentanamide
SMILESCCC(C)NC(=O)CC(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(C)C
InChIInChI=1S/C18H29N3O4S/c1-6-13(4)19-18(23)11-17(12(2)3)21-26(24,25)16-9-7-15(8-10-16)20-14(5)22/h7-10,12-13,17,21H,6,11H2,1-5H3,(H,19,23)(H,20,22)
InChIKeyYBXOBDYJJZMGEK-UHFFFAOYSA-N
XLogP2.25
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenyl)sulfonylamino]-N-butan-2-yl-4-methylpentanamide?
The IUPAC name of 3-[(4-acetamidophenyl)sulfonylamino]-N-butan-2-yl-4-methylpentanamide (CID 3631615) is 3-[(4-acetamidophenyl)sulfonylamino]-N-butan-2-yl-4-methylpentanamide.
What is the SMILES notation for 3-[(4-acetamidophenyl)sulfonylamino]-N-butan-2-yl-4-methylpentanamide?
The canonical SMILES for 3-[(4-acetamidophenyl)sulfonylamino]-N-butan-2-yl-4-methylpentanamide is CCC(C)NC(=O)CC(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(C)C.
What is the InChIKey of 3-[(4-acetamidophenyl)sulfonylamino]-N-butan-2-yl-4-methylpentanamide?
The InChIKey is YBXOBDYJJZMGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-6-13(4)19-18(23)11-17(12(2)3)21-26(24,25)16-9-7-15(8-10-16)20-14(5)22/h7-10,12-13,17,21H,6,11H2,1-5H3,(H,19,23)(H,20,22).
What are the key properties of 3-[(4-acetamidophenyl)sulfonylamino]-N-butan-2-yl-4-methylpentanamide?
3-[(4-acetamidophenyl)sulfonylamino]-N-butan-2-yl-4-methylpentanamide has a molecular weight of 383.51 g/mol, XLogP of 2.25, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenyl)sulfonylamino]-N-butan-2-yl-4-methylpentanamide is sourced from PubChem (CID 3631615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).