N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]acetamide

C19H24N2O3S — CID 70781931

IUPACN-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)CCCc2cccs2)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C19H24N2O3S/c1-13-8-9-18(24-13)16-11-21(12-17(16)20-14(2)22)19(23)7-3-5-15-6-4-10-25-15/h4,6,8-10,16-17H,3,5,7,11-12H2,1-2H3,(H,20,22)/t16-,17-/m1/s1
InChIKeyLONHQZFRMYJQBH-IAGOWNOFSA-N
MW360.48 g/mol
LogP3.10
Rot. Bonds6

About N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]acetamide

N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]acetamide (PubChem CID 70781931) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]acetamide
PubChem CID70781931
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)CCCc2cccs2)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C19H24N2O3S/c1-13-8-9-18(24-13)16-11-21(12-17(16)20-14(2)22)19(23)7-3-5-15-6-4-10-25-15/h4,6,8-10,16-17H,3,5,7,11-12H2,1-2H3,(H,20,22)/t16-,17-/m1/s1
InChIKeyLONHQZFRMYJQBH-IAGOWNOFSA-N
XLogP3.10
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide
CID 156606543
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 95355874
1,1-dimethyl-3-[4-propan-2-yl-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]urea
CID 156607108
N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]acetamide
CID 72903391
N-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide
CID 156604964
1-(2-methylmorpholin-4-yl)-4-thiophen-2-ylbutan-1-one
CID 47016281
3-methyl-1-(4-thiophen-2-ylbutanoyl)piperidin-4-one
CID 114499910
1-(3-chloro-4-methylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 102961373
(3S,4S)-4-methyl-1-(6-thiophen-2-ylhexanoyl)pyrrolidine-3-carboxylic acid
CID 120952295
1-(3-methyl-4-phenylpyrrolidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 110868759
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 113268887
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 72849026

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]acetamide (CID 70781931) is N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)CCCc2cccs2)C[C@H]1c1ccc(C)o1.
What is the InChIKey of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]acetamide?
The InChIKey is LONHQZFRMYJQBH-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13-8-9-18(24-13)16-11-21(12-17(16)20-14(2)22)19(23)7-3-5-15-6-4-10-25-15/h4,6,8-10,16-17H,3,5,7,11-12H2,1-2H3,(H,20,22)/t16-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]acetamide has a molecular weight of 360.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70781931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).