(2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide

C16H17ClN2O2S — CID 46998192

IUPAC(2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1Cc1ccc(Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C16H17ClN2O2S/c17-11-3-6-13(7-4-11)22-15-8-5-12(21-15)10-19-9-1-2-14(19)16(18)20/h3-8,14H,1-2,9-10H2,(H2,18,20)/t14-/m1/s1
InChIKeyHPOPUFZVLHUPIF-CQSZACIVSA-N
MW336.84 g/mol
LogP3.53
Rot. Bonds5

About (2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide

(2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 46998192) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is (2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID46998192
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name(2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1Cc1ccc(Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C16H17ClN2O2S/c17-11-3-6-13(7-4-11)22-15-8-5-12(21-15)10-19-9-1-2-14(19)16(18)20/h3-8,14H,1-2,9-10H2,(H2,18,20)/t14-/m1/s1
InChIKeyHPOPUFZVLHUPIF-CQSZACIVSA-N
XLogP3.53
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 171323663
(2R)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]piperidine-2-carboxamide
CID 94178041
1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 43169162
1-[(3-amino-4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 43349867
1-[(4-aminophenyl)methyl]pyrrolidine-2-carboxamide
CID 43212133
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 62890575
(2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 9405076
1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 175978099
1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65056029
1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide
CID 75514745
5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45183586

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide (CID 46998192) is (2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1Cc1ccc(Sc2ccc(Cl)cc2)o1.
What is the InChIKey of (2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is HPOPUFZVLHUPIF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c17-11-3-6-13(7-4-11)22-15-8-5-12(21-15)10-19-9-1-2-14(19)16(18)20/h3-8,14H,1-2,9-10H2,(H2,18,20)/t14-/m1/s1.
What are the key properties of (2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide?
(2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 336.84 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46998192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).