(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide

C19H23ClN2O2S — CID 40744935

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)N1CCCC1
InChIInChI=1S/C19H23ClN2O2S/c1-14(25-16-8-6-15(20)7-9-16)19(23)21-13-17(18-5-4-12-24-18)22-10-2-3-11-22/h4-9,12,14,17H,2-3,10-11,13H2,1H3,(H,21,23)/t14-,17-/m1/s1
InChIKeyVTLWUAIUBXTPLN-RHSMWYFYSA-N
MW378.93 g/mol
LogP4.37
Rot. Bonds7

About (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 40744935) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID40744935
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)N1CCCC1
InChIInChI=1S/C19H23ClN2O2S/c1-14(25-16-8-6-15(20)7-9-16)19(23)21-13-17(18-5-4-12-24-18)22-10-2-3-11-22/h4-9,12,14,17H,2-3,10-11,13H2,1H3,(H,21,23)/t14-,17-/m1/s1
InChIKeyVTLWUAIUBXTPLN-RHSMWYFYSA-N
XLogP4.37
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 54.37
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
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 36872492
(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 79023553
2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide
CID 42889442
3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 110302218
(2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
CID 40613576
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 112503361
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 27811203
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40752685
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 63789729
4-[(4-chlorophenyl)methyl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide
CID 31325262
1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 40952622

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide (CID 40744935) is (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide is C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)N1CCCC1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is VTLWUAIUBXTPLN-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-14(25-16-8-6-15(20)7-9-16)19(23)21-13-17(18-5-4-12-24-18)22-10-2-3-11-22/h4-9,12,14,17H,2-3,10-11,13H2,1H3,(H,21,23)/t14-,17-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 378.93 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 40744935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).