N-[(2R)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide

C23H33N3O4S — CID 26313790

IUPACN-[(2R)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1
InChIInChI=1S/C23H33N3O4S/c1-14(2)20(21(27)25-18-4-6-19(7-5-18)31(29,30)24-3)26-22(28)23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,14-17,20,24H,8-13H2,1-3H3,(H,25,27)(H,26,28)/t15?,16?,17?,20-,23?/m1/s1
InChIKeyZCFZCKNCVUKUGE-LZGZYFLISA-N
MW447.60 g/mol
LogP2.89
Rot. Bonds7

About N-[(2R)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide

N-[(2R)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide (PubChem CID 26313790) has the molecular formula C23H33N3O4S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-[(2R)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide
PubChem CID26313790
Molecular FormulaC23H33N3O4S
Molecular Weight447.60 g/mol
Exact Mass447.22
IUPAC NameN-[(2R)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1
InChIInChI=1S/C23H33N3O4S/c1-14(2)20(21(27)25-18-4-6-19(7-5-18)31(29,30)24-3)26-22(28)23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,14-17,20,24H,8-13H2,1-3H3,(H,25,27)(H,26,28)/t15?,16?,17?,20-,23?/m1/s1
InChIKeyZCFZCKNCVUKUGE-LZGZYFLISA-N
XLogP2.89
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-carbamoylanilino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 46522993
N-[3-methyl-1-oxo-1-(thiophen-3-ylamino)butan-2-yl]adamantane-1-carboxamide
CID 136526541
N-[1-[[4-(cyclopropanecarbonylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 24682816
2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
N-[1-(4-methylanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 5229641
N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide
CID 54787422
N-[(2R)-1-(4-iodoanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 29404544
N-[1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)anilino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 42941746
(2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 9219372
2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 24635394
N-[(2R)-1-[(2-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 9374837
N-[1-[3-(4-hydroxyphenyl)propylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 86972933

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[(2R)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide (CID 26313790) is N-[(2R)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(2R)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[(2R)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1.
What is the InChIKey of N-[(2R)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide?
The InChIKey is ZCFZCKNCVUKUGE-LZGZYFLISA-N. The full InChI is InChI=1S/C23H33N3O4S/c1-14(2)20(21(27)25-18-4-6-19(7-5-18)31(29,30)24-3)26-22(28)23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,14-17,20,24H,8-13H2,1-3H3,(H,25,27)(H,26,28)/t15?,16?,17?,20-,23?/m1/s1.
What are the key properties of N-[(2R)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide?
N-[(2R)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide has a molecular weight of 447.60 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 26313790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).