N-cycloheptyl-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetamide

C19H28N4O5S — CID 7550841

IUPACN-cycloheptyl-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NC1CCCCCC1
InChIInChI=1S/C19H28N4O5S/c24-19(21-15-7-3-1-2-4-8-15)14-20-29(27,28)16-9-10-17(18(13-16)23(25)26)22-11-5-6-12-22/h9-10,13,15,20H,1-8,11-12,14H2,(H,21,24)
InChIKeyFQXGSVURQRLPTN-UHFFFAOYSA-N
MW424.52 g/mol
LogP2.31
Rot. Bonds7

About N-cycloheptyl-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetamide

N-cycloheptyl-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetamide (PubChem CID 7550841) has the molecular formula C19H28N4O5S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-cycloheptyl-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetamide
PubChem CID7550841
Molecular FormulaC19H28N4O5S
Molecular Weight424.52 g/mol
Exact Mass424.18
IUPAC NameN-cycloheptyl-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NC1CCCCCC1
InChIInChI=1S/C19H28N4O5S/c24-19(21-15-7-3-1-2-4-8-15)14-20-29(27,28)16-9-10-17(18(13-16)23(25)26)22-11-5-6-12-22/h9-10,13,15,20H,1-8,11-12,14H2,(H,21,24)
InChIKeyFQXGSVURQRLPTN-UHFFFAOYSA-N
XLogP2.31
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.31
H-Bond Donors ≤ 52
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

N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
CID 23738990
N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
CID 7312159
[2-(cyclohexylamino)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate
CID 4029710
N-butyl-3-nitro-4-piperidin-1-ylbenzenesulfonamide
CID 21205326
N-[2-(dimethylamino)ethyl]-3-nitro-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]benzenesulfonamide
CID 55346984
N-cyclopentyl-2-[4-(methylsulfamoyl)-2-nitroanilino]acetamide
CID 9209200
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate
CID 7782149
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate
CID 7781975
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide
CID 112990970
N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112995022
4-(azetidin-1-yl)-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide
CID 25343713
N-[2-(cycloheptylamino)ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 119619877

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-cycloheptyl-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetamide (CID 7550841) is N-cycloheptyl-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetamide?
The InChIKey is FQXGSVURQRLPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5S/c24-19(21-15-7-3-1-2-4-8-15)14-20-29(27,28)16-9-10-17(18(13-16)23(25)26)22-11-5-6-12-22/h9-10,13,15,20H,1-8,11-12,14H2,(H,21,24).
What are the key properties of N-cycloheptyl-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetamide?
N-cycloheptyl-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetamide has a molecular weight of 424.52 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 7550841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).