(3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide

C22H27F2N3O4S — CID 118049692

IUPAC(3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)C1(CNS(=O)(=O)c4ccc(F)c(F)c4)CC1)[C@H](C3)C2
InChIInChI=1S/C22H27F2N3O4S/c23-16-2-1-15(7-17(16)24)32(30,31)26-11-21(3-4-21)20(29)27-18-13-5-12-6-14(18)10-22(8-12,9-13)19(25)28/h1-2,7,12-14,18,26H,3-6,8-11H2,(H2,25,28)(H,27,29)/t12?,13-,14?,18?,22?/m1/s1
InChIKeyPLGJVSKFKUOZKT-LMMKAMGSSA-N
MW467.54 g/mol
LogP1.82
Rot. Bonds7

About (3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide

(3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide (PubChem CID 118049692) has the molecular formula C22H27F2N3O4S and a molecular weight of 467.54 g/mol. Its IUPAC name is (3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name(3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
PubChem CID118049692
Molecular FormulaC22H27F2N3O4S
Molecular Weight467.54 g/mol
Exact Mass467.17
IUPAC Name(3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)C1(CNS(=O)(=O)c4ccc(F)c(F)c4)CC1)[C@H](C3)C2
InChIInChI=1S/C22H27F2N3O4S/c23-16-2-1-15(7-17(16)24)32(30,31)26-11-21(3-4-21)20(29)27-18-13-5-12-6-14(18)10-22(8-12,9-13)19(25)28/h1-2,7,12-14,18,26H,3-6,8-11H2,(H2,25,28)(H,27,29)/t12?,13-,14?,18?,22?/m1/s1
InChIKeyPLGJVSKFKUOZKT-LMMKAMGSSA-N
XLogP1.82
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide with MolForge

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Related Compounds

4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
CID 90294198
4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118260382
4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118260381
(3S,5R)-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxamide
CID 11696680
4-[[2-[(3-chloro-4-fluorophenyl)sulfonyl-cyclopropylamino]acetyl]amino]adamantane-1-carboxamide
CID 71541927
4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 118035384
N-[[1-[(5-carbamoyl-2-adamantyl)carbamoyl]cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 118264710
4-[[1-[(2-fluorobenzoyl)amino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 118035157
4-[[2-[(3-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 71511231
4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide
CID 71248863
4-[[1-[methyl-(4-phenylphenyl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 71543048
4-[2-[1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclohexyl]-2-oxoethyl]adamantane-1-carboxamide
CID 152873715

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide?
The IUPAC name of (3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide (CID 118049692) is (3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for (3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide?
The canonical SMILES for (3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide is NC(=O)C12CC3CC(C1)C(NC(=O)C1(CNS(=O)(=O)c4ccc(F)c(F)c4)CC1)[C@H](C3)C2.
What is the InChIKey of (3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide?
The InChIKey is PLGJVSKFKUOZKT-LMMKAMGSSA-N. The full InChI is InChI=1S/C22H27F2N3O4S/c23-16-2-1-15(7-17(16)24)32(30,31)26-11-21(3-4-21)20(29)27-18-13-5-12-6-14(18)10-22(8-12,9-13)19(25)28/h1-2,7,12-14,18,26H,3-6,8-11H2,(H2,25,28)(H,27,29)/t12?,13-,14?,18?,22?/m1/s1.
What are the key properties of (3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide?
(3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide has a molecular weight of 467.54 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 118049692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).