N-(3-ethoxy-2-phenylcyclopent-2-en-1-yl)-N,4-dimethylbenzenesulfonamide

C21H25NO3S — CID 135062861

IUPACN-(3-ethoxy-2-phenylcyclopent-2-en-1-yl)-N,4-dimethylbenzenesulfonamide
SMILESCCOC1=C(c2ccccc2)C(N(C)S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C21H25NO3S/c1-4-25-20-15-14-19(21(20)17-8-6-5-7-9-17)22(3)26(23,24)18-12-10-16(2)11-13-18/h5-13,19H,4,14-15H2,1-3H3
InChIKeyMRUVUSOBYWHIMD-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.23
Rot. Bonds6

About N-(3-ethoxy-2-phenylcyclopent-2-en-1-yl)-N,4-dimethylbenzenesulfonamide

N-(3-ethoxy-2-phenylcyclopent-2-en-1-yl)-N,4-dimethylbenzenesulfonamide (PubChem CID 135062861) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is N-(3-ethoxy-2-phenylcyclopent-2-en-1-yl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-2-phenylcyclopent-2-en-1-yl)-N,4-dimethylbenzenesulfonamide
PubChem CID135062861
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC NameN-(3-ethoxy-2-phenylcyclopent-2-en-1-yl)-N,4-dimethylbenzenesulfonamide
SMILESCCOC1=C(c2ccccc2)C(N(C)S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C21H25NO3S/c1-4-25-20-15-14-19(21(20)17-8-6-5-7-9-17)22(3)26(23,24)18-12-10-16(2)11-13-18/h5-13,19H,4,14-15H2,1-3H3
InChIKeyMRUVUSOBYWHIMD-UHFFFAOYSA-N
XLogP4.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2-phenylcyclopent-2-en-1-yl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-ethoxy-2-phenylcyclopent-2-en-1-yl)-N,4-dimethylbenzenesulfonamide (CID 135062861) is N-(3-ethoxy-2-phenylcyclopent-2-en-1-yl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-ethoxy-2-phenylcyclopent-2-en-1-yl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-ethoxy-2-phenylcyclopent-2-en-1-yl)-N,4-dimethylbenzenesulfonamide is CCOC1=C(c2ccccc2)C(N(C)S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-(3-ethoxy-2-phenylcyclopent-2-en-1-yl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is MRUVUSOBYWHIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3S/c1-4-25-20-15-14-19(21(20)17-8-6-5-7-9-17)22(3)26(23,24)18-12-10-16(2)11-13-18/h5-13,19H,4,14-15H2,1-3H3.
What are the key properties of N-(3-ethoxy-2-phenylcyclopent-2-en-1-yl)-N,4-dimethylbenzenesulfonamide?
N-(3-ethoxy-2-phenylcyclopent-2-en-1-yl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 371.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2-phenylcyclopent-2-en-1-yl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 135062861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).