N-acetyl-N-(4-aminophenyl)sulfonyl-2,2,3-trimethylcyclopentane-1-carboxamide

C17H24N2O4S — CID 89173599

IUPACN-acetyl-N-(4-aminophenyl)sulfonyl-2,2,3-trimethylcyclopentane-1-carboxamide
SMILESCC(=O)N(C(=O)C1CCC(C)C1(C)C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C17H24N2O4S/c1-11-5-10-15(17(11,3)4)16(21)19(12(2)20)24(22,23)14-8-6-13(18)7-9-14/h6-9,11,15H,5,10,18H2,1-4H3
InChIKeyIKDMQWRZUBHUDK-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.40
Rot. Bonds3

About N-acetyl-N-(4-aminophenyl)sulfonyl-2,2,3-trimethylcyclopentane-1-carboxamide

N-acetyl-N-(4-aminophenyl)sulfonyl-2,2,3-trimethylcyclopentane-1-carboxamide (PubChem CID 89173599) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-acetyl-N-(4-aminophenyl)sulfonyl-2,2,3-trimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-acetyl-N-(4-aminophenyl)sulfonyl-2,2,3-trimethylcyclopentane-1-carboxamide
PubChem CID89173599
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-acetyl-N-(4-aminophenyl)sulfonyl-2,2,3-trimethylcyclopentane-1-carboxamide
SMILESCC(=O)N(C(=O)C1CCC(C)C1(C)C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C17H24N2O4S/c1-11-5-10-15(17(11,3)4)16(21)19(12(2)20)24(22,23)14-8-6-13(18)7-9-14/h6-9,11,15H,5,10,18H2,1-4H3
InChIKeyIKDMQWRZUBHUDK-UHFFFAOYSA-N
XLogP2.40
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(4-aminophenyl)sulfonyl-2,2,3-trimethylcyclopentane-1-carboxamide?
The IUPAC name of N-acetyl-N-(4-aminophenyl)sulfonyl-2,2,3-trimethylcyclopentane-1-carboxamide (CID 89173599) is N-acetyl-N-(4-aminophenyl)sulfonyl-2,2,3-trimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-acetyl-N-(4-aminophenyl)sulfonyl-2,2,3-trimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-acetyl-N-(4-aminophenyl)sulfonyl-2,2,3-trimethylcyclopentane-1-carboxamide is CC(=O)N(C(=O)C1CCC(C)C1(C)C)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of N-acetyl-N-(4-aminophenyl)sulfonyl-2,2,3-trimethylcyclopentane-1-carboxamide?
The InChIKey is IKDMQWRZUBHUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-11-5-10-15(17(11,3)4)16(21)19(12(2)20)24(22,23)14-8-6-13(18)7-9-14/h6-9,11,15H,5,10,18H2,1-4H3.
What are the key properties of N-acetyl-N-(4-aminophenyl)sulfonyl-2,2,3-trimethylcyclopentane-1-carboxamide?
N-acetyl-N-(4-aminophenyl)sulfonyl-2,2,3-trimethylcyclopentane-1-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(4-aminophenyl)sulfonyl-2,2,3-trimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 89173599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).