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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Related Compounds

N-(3-hydroxy-2-phenylcyclopenten-1-yl)-N,4-dimethylbenzenesulfonamide
CID 138969349
N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 26003303
N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide
CID 35767256
N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide
CID 19211132
N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 57398674
(2S)-3-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]butanoic acid
CID 14236032
(4-phenylphenyl)methyl 4-methylbenzenesulfonate
CID 102437017
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide
CID 95748590
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
[4-(benzenesulfonyloxy)cyclohexyl] 4-methylbenzenesulfonate
CID 139842122
N,4-dimethyl-N-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide
CID 154722258

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).