(2S)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide

C14H14ClNO2S — CID 124618047

IUPAC(2S)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
SMILESNC(=O)[C@H](Cc1ccc(Cl)cc1)SCc1ccco1
InChIInChI=1S/C14H14ClNO2S/c15-11-5-3-10(4-6-11)8-13(14(16)17)19-9-12-2-1-7-18-12/h1-7,13H,8-9H2,(H2,16,17)/t13-/m0/s1
InChIKeyWJTGCGIZISHKDQ-ZDUSSCGKSA-N
MW295.79 g/mol
LogP3.26
Rot. Bonds6

About (2S)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide

(2S)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide (PubChem CID 124618047) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is (2S)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide.

Molecular Properties

Compound Name(2S)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
PubChem CID124618047
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name(2S)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
SMILESNC(=O)[C@H](Cc1ccc(Cl)cc1)SCc1ccco1
InChIInChI=1S/C14H14ClNO2S/c15-11-5-3-10(4-6-11)8-13(14(16)17)19-9-12-2-1-7-18-12/h1-7,13H,8-9H2,(H2,16,17)/t13-/m0/s1
InChIKeyWJTGCGIZISHKDQ-ZDUSSCGKSA-N
XLogP3.26
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-ylmethylsulfanyl)-N-methyl-3-phenylpropanamide
CID 75520332
1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172819
1-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanone
CID 43412900
3-(furan-2-ylmethylsulfanyl)-4-phenylbutan-1-amine
CID 175169618
(3S)-3-amino-1-(furan-2-ylmethylsulfanyl)-4-phenylbutan-2-one
CID 15287873
(3R)-1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)propan-1-one
CID 1036551
(2R)-3-(4-chlorophenyl)-2-iodopropanamide
CID 138478190
1-(4-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide
CID 18891330
4-chloro-2-(furan-2-ylmethylsulfanyl)aniline
CID 79528052
3-(furan-2-ylmethyl)pentane-2,4-dione
CID 101387929
2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide
CID 110618053
4-(4-chlorophenyl)-3-hydroxybutanamide
CID 70557750

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
The IUPAC name of (2S)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide (CID 124618047) is (2S)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide.
What is the SMILES notation for (2S)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
The canonical SMILES for (2S)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide is NC(=O)[C@H](Cc1ccc(Cl)cc1)SCc1ccco1.
What is the InChIKey of (2S)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
The InChIKey is WJTGCGIZISHKDQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-11-5-3-10(4-6-11)8-13(14(16)17)19-9-12-2-1-7-18-12/h1-7,13H,8-9H2,(H2,16,17)/t13-/m0/s1.
What are the key properties of (2S)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
(2S)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide has a molecular weight of 295.79 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-chlorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide is sourced from PubChem (CID 124618047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).