4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide

C24H35N3O4S — CID 71248863

IUPAC4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide
SMILESCCCc1ccc(S(=O)(=O)NC(C)(C)C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)cc1
InChIInChI=1S/C24H35N3O4S/c1-4-5-15-6-8-19(9-7-15)32(30,31)27-23(2,3)22(29)26-20-17-10-16-11-18(20)14-24(12-16,13-17)21(25)28/h6-9,16-18,20,27H,4-5,10-14H2,1-3H3,(H2,25,28)(H,26,29)
InChIKeyDYATWJIKEDKGCL-UHFFFAOYSA-N
MW461.63 g/mol
LogP2.49
Rot. Bonds8

About 4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide

4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide (PubChem CID 71248863) has the molecular formula C24H35N3O4S and a molecular weight of 461.63 g/mol. Its IUPAC name is 4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide
PubChem CID71248863
Molecular FormulaC24H35N3O4S
Molecular Weight461.63 g/mol
Exact Mass461.23
IUPAC Name4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide
SMILESCCCc1ccc(S(=O)(=O)NC(C)(C)C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)cc1
InChIInChI=1S/C24H35N3O4S/c1-4-5-15-6-8-19(9-7-15)32(30,31)27-23(2,3)22(29)26-20-17-10-16-11-18(20)14-24(12-16,13-17)21(25)28/h6-9,16-18,20,27H,4-5,10-14H2,1-3H3,(H2,25,28)(H,26,29)
InChIKeyDYATWJIKEDKGCL-UHFFFAOYSA-N
XLogP2.49
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide?
The IUPAC name of 4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide (CID 71248863) is 4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide is CCCc1ccc(S(=O)(=O)NC(C)(C)C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)cc1.
What is the InChIKey of 4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide?
The InChIKey is DYATWJIKEDKGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4S/c1-4-5-15-6-8-19(9-7-15)32(30,31)27-23(2,3)22(29)26-20-17-10-16-11-18(20)14-24(12-16,13-17)21(25)28/h6-9,16-18,20,27H,4-5,10-14H2,1-3H3,(H2,25,28)(H,26,29).
What are the key properties of 4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide?
4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide has a molecular weight of 461.63 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-2-[(4-propylphenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 71248863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).