5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide

C15H17ClN2O2S — CID 4808914

IUPAC5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2O2S/c16-14-6-5-13(21-14)15(19)17-10-11(12-4-3-9-20-12)18-7-1-2-8-18/h3-6,9,11H,1-2,7-8,10H2,(H,17,19)
InChIKeyDUPOJNOZRLPROC-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.56
Rot. Bonds5

About 5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide

5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide (PubChem CID 4808914) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
PubChem CID4808914
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2O2S/c16-14-6-5-13(21-14)15(19)17-10-11(12-4-3-9-20-12)18-7-1-2-8-18/h3-6,9,11H,1-2,7-8,10H2,(H,17,19)
InChIKeyDUPOJNOZRLPROC-UHFFFAOYSA-N
XLogP3.56
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 25161590
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40752685
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
CID 112503384
2,4-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 18161350
5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 43005379
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
2-(furan-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 51934328
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide (CID 4808914) is 5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide is O=C(NCC(c1ccco1)N1CCCC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The InChIKey is DUPOJNOZRLPROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c16-14-6-5-13(21-14)15(19)17-10-11(12-4-3-9-20-12)18-7-1-2-8-18/h3-6,9,11H,1-2,7-8,10H2,(H,17,19).
What are the key properties of 5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide has a molecular weight of 324.83 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 4808914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).