4-[[1-[(2-nitrophenyl)sulfonylamino]cyclopentanecarbonyl]amino]adamantane-1-carboxamide

C23H30N4O6S — CID 90294146

IUPAC4-[[1-[(2-nitrophenyl)sulfonylamino]cyclopentanecarbonyl]amino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)C1(NS(=O)(=O)c4ccccc4[N+](=O)[O-])CCCC1)C(C3)C2
InChIInChI=1S/C23H30N4O6S/c24-20(28)22-11-14-9-15(12-22)19(16(10-14)13-22)25-21(29)23(7-3-4-8-23)26-34(32,33)18-6-2-1-5-17(18)27(30)31/h1-2,5-6,14-16,19,26H,3-4,7-13H2,(H2,24,28)(H,25,29)
InChIKeySYIGVOOEALQXGW-UHFFFAOYSA-N
MW490.58 g/mol
LogP1.98
Rot. Bonds7

About 4-[[1-[(2-nitrophenyl)sulfonylamino]cyclopentanecarbonyl]amino]adamantane-1-carboxamide

4-[[1-[(2-nitrophenyl)sulfonylamino]cyclopentanecarbonyl]amino]adamantane-1-carboxamide (PubChem CID 90294146) has the molecular formula C23H30N4O6S and a molecular weight of 490.58 g/mol. Its IUPAC name is 4-[[1-[(2-nitrophenyl)sulfonylamino]cyclopentanecarbonyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[[1-[(2-nitrophenyl)sulfonylamino]cyclopentanecarbonyl]amino]adamantane-1-carboxamide
PubChem CID90294146
Molecular FormulaC23H30N4O6S
Molecular Weight490.58 g/mol
Exact Mass490.19
IUPAC Name4-[[1-[(2-nitrophenyl)sulfonylamino]cyclopentanecarbonyl]amino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)C1(NS(=O)(=O)c4ccccc4[N+](=O)[O-])CCCC1)C(C3)C2
InChIInChI=1S/C23H30N4O6S/c24-20(28)22-11-14-9-15(12-22)19(16(10-14)13-22)25-21(29)23(7-3-4-8-23)26-34(32,33)18-6-2-1-5-17(18)27(30)31/h1-2,5-6,14-16,19,26H,3-4,7-13H2,(H2,24,28)(H,25,29)
InChIKeySYIGVOOEALQXGW-UHFFFAOYSA-N
XLogP1.98
TPSA161.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2-nitrophenyl)sulfonylamino]cyclopentanecarbonyl]amino]adamantane-1-carboxamide?
The IUPAC name of 4-[[1-[(2-nitrophenyl)sulfonylamino]cyclopentanecarbonyl]amino]adamantane-1-carboxamide (CID 90294146) is 4-[[1-[(2-nitrophenyl)sulfonylamino]cyclopentanecarbonyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 4-[[1-[(2-nitrophenyl)sulfonylamino]cyclopentanecarbonyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 4-[[1-[(2-nitrophenyl)sulfonylamino]cyclopentanecarbonyl]amino]adamantane-1-carboxamide is NC(=O)C12CC3CC(C1)C(NC(=O)C1(NS(=O)(=O)c4ccccc4[N+](=O)[O-])CCCC1)C(C3)C2.
What is the InChIKey of 4-[[1-[(2-nitrophenyl)sulfonylamino]cyclopentanecarbonyl]amino]adamantane-1-carboxamide?
The InChIKey is SYIGVOOEALQXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O6S/c24-20(28)22-11-14-9-15(12-22)19(16(10-14)13-22)25-21(29)23(7-3-4-8-23)26-34(32,33)18-6-2-1-5-17(18)27(30)31/h1-2,5-6,14-16,19,26H,3-4,7-13H2,(H2,24,28)(H,25,29).
What are the key properties of 4-[[1-[(2-nitrophenyl)sulfonylamino]cyclopentanecarbonyl]amino]adamantane-1-carboxamide?
4-[[1-[(2-nitrophenyl)sulfonylamino]cyclopentanecarbonyl]amino]adamantane-1-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2-nitrophenyl)sulfonylamino]cyclopentanecarbonyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 90294146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).