3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide

C22H30ClN3O4S — CID 90294215

IUPAC3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(C)(C)C(=O)NC12CC3CC(C1)CC(C(N)=O)(C3)C2
InChIInChI=1S/C22H30ClN3O4S/c1-13-16(23)5-4-6-17(13)31(29,30)26-20(2,3)19(28)25-22-10-14-7-15(11-22)9-21(8-14,12-22)18(24)27/h4-6,14-15,26H,7-12H2,1-3H3,(H2,24,27)(H,25,28)
InChIKeyMKVYPPQGCGYHIC-UHFFFAOYSA-N
MW468.02 g/mol
LogP2.65
Rot. Bonds6

About 3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide

3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide (PubChem CID 90294215) has the molecular formula C22H30ClN3O4S and a molecular weight of 468.02 g/mol. Its IUPAC name is 3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
PubChem CID90294215
Molecular FormulaC22H30ClN3O4S
Molecular Weight468.02 g/mol
Exact Mass467.16
IUPAC Name3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(C)(C)C(=O)NC12CC3CC(C1)CC(C(N)=O)(C3)C2
InChIInChI=1S/C22H30ClN3O4S/c1-13-16(23)5-4-6-17(13)31(29,30)26-20(2,3)19(28)25-22-10-14-7-15(11-22)9-21(8-14,12-22)18(24)27/h4-6,14-15,26H,7-12H2,1-3H3,(H2,24,27)(H,25,28)
InChIKeyMKVYPPQGCGYHIC-UHFFFAOYSA-N
XLogP2.65
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.02
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[(2,3-dichlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 90294303
3-[[2-methyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide
CID 90294281
3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide
CID 90294234
3-[[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
CID 90294402
3-[[2-[(3,5-difluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 90294283
3-[[2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl]amino]adamantane-1-carboxamide
CID 90294292
N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide
CID 24891141
4-[[3-[(3-chloro-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanoyl]amino]adamantane-1-carboxamide
CID 118035002
4-[[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 90294151
3-[[1-[(2-aminophenyl)sulfonyl-methylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
CID 90294223
3-[3-methyl-2-oxo-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butyl]adamantane-1-carboxamide
CID 158407036
3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 141476428

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide?
The IUPAC name of 3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide (CID 90294215) is 3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide is Cc1c(Cl)cccc1S(=O)(=O)NC(C)(C)C(=O)NC12CC3CC(C1)CC(C(N)=O)(C3)C2.
What is the InChIKey of 3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide?
The InChIKey is MKVYPPQGCGYHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O4S/c1-13-16(23)5-4-6-17(13)31(29,30)26-20(2,3)19(28)25-22-10-14-7-15(11-22)9-21(8-14,12-22)18(24)27/h4-6,14-15,26H,7-12H2,1-3H3,(H2,24,27)(H,25,28).
What are the key properties of 3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide?
3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide has a molecular weight of 468.02 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 90294215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).