6-[[1-[(2-nitrophenyl)sulfonylamino]cyclobutanecarbonyl]amino]tricyclo[3.3.1.03,7]nonane-3-carboxamide

C21H26N4O6S — CID 71249127

IUPAC6-[[1-[(2-nitrophenyl)sulfonylamino]cyclobutanecarbonyl]amino]tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)C1(NS(=O)(=O)c4ccccc4[N+](=O)[O-])CCC1)C2C3
InChIInChI=1S/C21H26N4O6S/c22-18(26)20-10-12-8-13(11-20)17(14(20)9-12)23-19(27)21(6-3-7-21)24-32(30,31)16-5-2-1-4-15(16)25(28)29/h1-2,4-5,12-14,17,24H,3,6-11H2,(H2,22,26)(H,23,27)
InChIKeyRAGJLSATIOPGBJ-UHFFFAOYSA-N
MW462.53 g/mol
LogP1.20
Rot. Bonds7

About 6-[[1-[(2-nitrophenyl)sulfonylamino]cyclobutanecarbonyl]amino]tricyclo[3.3.1.03,7]nonane-3-carboxamide

6-[[1-[(2-nitrophenyl)sulfonylamino]cyclobutanecarbonyl]amino]tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 71249127) has the molecular formula C21H26N4O6S and a molecular weight of 462.53 g/mol. Its IUPAC name is 6-[[1-[(2-nitrophenyl)sulfonylamino]cyclobutanecarbonyl]amino]tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name6-[[1-[(2-nitrophenyl)sulfonylamino]cyclobutanecarbonyl]amino]tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID71249127
Molecular FormulaC21H26N4O6S
Molecular Weight462.53 g/mol
Exact Mass462.16
IUPAC Name6-[[1-[(2-nitrophenyl)sulfonylamino]cyclobutanecarbonyl]amino]tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)C1(NS(=O)(=O)c4ccccc4[N+](=O)[O-])CCC1)C2C3
InChIInChI=1S/C21H26N4O6S/c22-18(26)20-10-12-8-13(11-20)17(14(20)9-12)23-19(27)21(6-3-7-21)24-32(30,31)16-5-2-1-4-15(16)25(28)29/h1-2,4-5,12-14,17,24H,3,6-11H2,(H2,22,26)(H,23,27)
InChIKeyRAGJLSATIOPGBJ-UHFFFAOYSA-N
XLogP1.20
TPSA161.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 51.20
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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Related Compounds

4-[[1-[(2-nitrophenyl)sulfonylamino]cyclopentanecarbonyl]amino]adamantane-1-carboxamide
CID 90294146
N-methyl-4-[[1-[(2-nitrophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
CID 71247813
4-[2-[1-[(2-nitrophenyl)sulfonylamino]cyclopentyl]-2-oxoethyl]adamantane-1-carboxamide
CID 148845023
4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
CID 90294198
4-[[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 90294151
CID 89402857
CID 89402857
4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 118035243
1-[(2-methyl-3-nitrophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81164856
benzyl 1-[(2-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylate
CID 165125265
1-(2-nitrophenyl)sulfonylcyclohexane-1-carboxamide
CID 57219718
4-[[1-[(2-methylpyrazol-3-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 118035085
N-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide
CID 71247729

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(2-nitrophenyl)sulfonylamino]cyclobutanecarbonyl]amino]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of 6-[[1-[(2-nitrophenyl)sulfonylamino]cyclobutanecarbonyl]amino]tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 71249127) is 6-[[1-[(2-nitrophenyl)sulfonylamino]cyclobutanecarbonyl]amino]tricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for 6-[[1-[(2-nitrophenyl)sulfonylamino]cyclobutanecarbonyl]amino]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for 6-[[1-[(2-nitrophenyl)sulfonylamino]cyclobutanecarbonyl]amino]tricyclo[3.3.1.03,7]nonane-3-carboxamide is NC(=O)C12CC3CC(C1)C(NC(=O)C1(NS(=O)(=O)c4ccccc4[N+](=O)[O-])CCC1)C2C3.
What is the InChIKey of 6-[[1-[(2-nitrophenyl)sulfonylamino]cyclobutanecarbonyl]amino]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is RAGJLSATIOPGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6S/c22-18(26)20-10-12-8-13(11-20)17(14(20)9-12)23-19(27)21(6-3-7-21)24-32(30,31)16-5-2-1-4-15(16)25(28)29/h1-2,4-5,12-14,17,24H,3,6-11H2,(H2,22,26)(H,23,27).
What are the key properties of 6-[[1-[(2-nitrophenyl)sulfonylamino]cyclobutanecarbonyl]amino]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
6-[[1-[(2-nitrophenyl)sulfonylamino]cyclobutanecarbonyl]amino]tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[(2-nitrophenyl)sulfonylamino]cyclobutanecarbonyl]amino]tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 71249127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).