N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-pyrrolidin-1-ylacetamide

C15H23N3O3S — CID 3240260

IUPACN-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-pyrrolidin-1-ylacetamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CN2CCCC2)cc1
InChIInChI=1S/C15H23N3O3S/c1-13-4-6-14(7-5-13)22(20,21)17-9-8-16-15(19)12-18-10-2-3-11-18/h4-7,17H,2-3,8-12H2,1H3,(H,16,19)
InChIKeyQNNDILQRSDVOON-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.49
Rot. Bonds7

About N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-pyrrolidin-1-ylacetamide

N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 3240260) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-pyrrolidin-1-ylacetamide
PubChem CID3240260
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-pyrrolidin-1-ylacetamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CN2CCCC2)cc1
InChIInChI=1S/C15H23N3O3S/c1-13-4-6-14(7-5-13)22(20,21)17-9-8-16-15(19)12-18-10-2-3-11-18/h4-7,17H,2-3,8-12H2,1H3,(H,16,19)
InChIKeyQNNDILQRSDVOON-UHFFFAOYSA-N
XLogP0.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-pyrrolidin-1-ylacetamide (CID 3240260) is N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-pyrrolidin-1-ylacetamide is Cc1ccc(S(=O)(=O)NCCNC(=O)CN2CCCC2)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is QNNDILQRSDVOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-13-4-6-14(7-5-13)22(20,21)17-9-8-16-15(19)12-18-10-2-3-11-18/h4-7,17H,2-3,8-12H2,1H3,(H,16,19).
What are the key properties of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-pyrrolidin-1-ylacetamide?
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 325.43 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 3240260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).