N-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide

C17H22N2O4S2 — CID 134001822

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)s2)o1
InChIInChI=1S/C17H22N2O4S2/c1-11-6-8-15(23-11)13(3)18-17(20)14-5-4-10-19(14)25(21,22)16-9-7-12(2)24-16/h6-9,13-14H,4-5,10H2,1-3H3,(H,18,20)
InChIKeyPAXJXDFOCSBWRI-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.99
Rot. Bonds5

About N-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide

N-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 134001822) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID134001822
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)s2)o1
InChIInChI=1S/C17H22N2O4S2/c1-11-6-8-15(23-11)13(3)18-17(20)14-5-4-10-19(14)25(21,22)16-9-7-12(2)24-16/h6-9,13-14H,4-5,10H2,1-3H3,(H,18,20)
InChIKeyPAXJXDFOCSBWRI-UHFFFAOYSA-N
XLogP2.99
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-methylfuran-2-yl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241405
N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 42943806
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 120943095
N-(2-amino-2-phenylethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 119528962
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone
CID 119647161
(2S)-N-[(3-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 33283433
(2R)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 95678965
N-(1,3-benzodioxol-5-ylmethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 56807672
(4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
CID 119375688
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 56807693
methyl 4-methyl-3-[[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 43049681
N-[5-(dimethylamino)-2-pyridinyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 60600192

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide (CID 134001822) is N-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(C(C)NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)s2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is PAXJXDFOCSBWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-11-6-8-15(23-11)13(3)18-17(20)14-5-4-10-19(14)25(21,22)16-9-7-12(2)24-16/h6-9,13-14H,4-5,10H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide?
N-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134001822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).