4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide

C17H20N2O4S2 — CID 51270971

IUPAC4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide
SMILESCCOc1ccc(C2CCCN2C(=O)c2csc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C17H20N2O4S2/c1-2-23-14-7-5-12(6-8-14)15-4-3-9-19(15)17(20)13-10-16(24-11-13)25(18,21)22/h5-8,10-11,15H,2-4,9H2,1H3,(H2,18,21,22)
InChIKeyXGRCERBKOFRCPF-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.77
Rot. Bonds5

About 4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide

4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide (PubChem CID 51270971) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide
PubChem CID51270971
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide
SMILESCCOc1ccc(C2CCCN2C(=O)c2csc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C17H20N2O4S2/c1-2-23-14-7-5-12(6-8-14)15-4-3-9-19(15)17(20)13-10-16(24-11-13)25(18,21)22/h5-8,10-11,15H,2-4,9H2,1H3,(H2,18,21,22)
InChIKeyXGRCERBKOFRCPF-UHFFFAOYSA-N
XLogP2.77
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-phenylpyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 51325402
[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 41135388
(3-bromo-4-methoxyphenyl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46421562
[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea
CID 46699396
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 51111109
2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 134048762
ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate
CID 122159396
[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 124602381
3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 51926331
2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 46637688
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 51257049
4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazine-1-sulfonamide
CID 146122524

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide?
The IUPAC name of 4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide (CID 51270971) is 4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide is CCOc1ccc(C2CCCN2C(=O)c2csc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide?
The InChIKey is XGRCERBKOFRCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-2-23-14-7-5-12(6-8-14)15-4-3-9-19(15)17(20)13-10-16(24-11-13)25(18,21)22/h5-8,10-11,15H,2-4,9H2,1H3,(H2,18,21,22).
What are the key properties of 4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide?
4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide has a molecular weight of 380.49 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide is sourced from PubChem (CID 51270971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).