4-[[3-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]adamantane-1-carboxamide

C22H29F2N3O4S — CID 54754622

IUPAC4-[[3-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]adamantane-1-carboxamide
SMILESCC(C)(CC(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C22H29F2N3O4S/c1-21(2,27-32(30,31)19-15(23)4-3-5-16(19)24)11-17(28)26-18-13-6-12-7-14(18)10-22(8-12,9-13)20(25)29/h3-5,12-14,18,27H,6-11H2,1-2H3,(H2,25,29)(H,26,28)
InChIKeyFXACOQMPDLIHTI-UHFFFAOYSA-N
MW469.55 g/mol
LogP2.21
Rot. Bonds7

About 4-[[3-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]adamantane-1-carboxamide

4-[[3-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]adamantane-1-carboxamide (PubChem CID 54754622) has the molecular formula C22H29F2N3O4S and a molecular weight of 469.55 g/mol. Its IUPAC name is 4-[[3-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[[3-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]adamantane-1-carboxamide
PubChem CID54754622
Molecular FormulaC22H29F2N3O4S
Molecular Weight469.55 g/mol
Exact Mass469.18
IUPAC Name4-[[3-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]adamantane-1-carboxamide
SMILESCC(C)(CC(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C22H29F2N3O4S/c1-21(2,27-32(30,31)19-15(23)4-3-5-16(19)24)11-17(28)26-18-13-6-12-7-14(18)10-22(8-12,9-13)20(25)29/h3-5,12-14,18,27H,6-11H2,1-2H3,(H2,25,29)(H,26,28)
InChIKeyFXACOQMPDLIHTI-UHFFFAOYSA-N
XLogP2.21
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[3-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]adamantane-1-carboxamide?
The IUPAC name of 4-[[3-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]adamantane-1-carboxamide (CID 54754622) is 4-[[3-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 4-[[3-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 4-[[3-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]adamantane-1-carboxamide is CC(C)(CC(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2)NS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 4-[[3-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]adamantane-1-carboxamide?
The InChIKey is FXACOQMPDLIHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F2N3O4S/c1-21(2,27-32(30,31)19-15(23)4-3-5-16(19)24)11-17(28)26-18-13-6-12-7-14(18)10-22(8-12,9-13)20(25)29/h3-5,12-14,18,27H,6-11H2,1-2H3,(H2,25,29)(H,26,28).
What are the key properties of 4-[[3-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]adamantane-1-carboxamide?
4-[[3-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]adamantane-1-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 54754622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).