(2S)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C15H16N2O3S — CID 2574961

IUPAC(2S)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C15H16N2O3S/c18-14(16-10-11-4-2-8-20-11)12-5-1-7-17(12)15(19)13-6-3-9-21-13/h2-4,6,8-9,12H,1,5,7,10H2,(H,16,18)/t12-/m0/s1
InChIKeyAWZFRMWEHHSWAL-LBPRGKRZSA-N
MW304.37 g/mol
LogP2.26
Rot. Bonds4

About (2S)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 2574961) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID2574961
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name(2S)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C15H16N2O3S/c18-14(16-10-11-4-2-8-20-11)12-5-1-7-17(12)15(19)13-6-3-9-21-13/h2-4,6,8-9,12H,1,5,7,10H2,(H,16,18)/t12-/m0/s1
InChIKeyAWZFRMWEHHSWAL-LBPRGKRZSA-N
XLogP2.26
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]sulfanylpropanamide
CID 557197
N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 573774
N-(furan-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2093798
N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 2177140
N-(2-furylmethyl)-2-(1-pyrrolidinyl)-2-thioxoacetamide
CID 2975846
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 4884562
N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
CID 19585268
Furan-2-yl-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 25163808
N-Furan-2-ylmethyl-2-phenylsulfanyl-acetamide
CID 800685
N-Cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-3-yl-acetamide
CID 648156
N-Furan-2-ylmethyl-2-[phenyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-2-yl-acetamide
CID 649429
2-Benzenesulfonylamino-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-thiophen-2-ylmethyl-acetamide
CID 651765

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 2574961) is (2S)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is AWZFRMWEHHSWAL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-14(16-10-11-4-2-8-20-11)12-5-1-7-17(12)15(19)13-6-3-9-21-13/h2-4,6,8-9,12H,1,5,7,10H2,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 2574961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).