(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide

C16H20ClNOS — CID 98209551

IUPAC(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H20ClNOS/c1-10(20-14-6-4-13(17)5-7-14)16(19)18-15-9-11-2-3-12(15)8-11/h4-7,10-12,15H,2-3,8-9H2,1H3,(H,18,19)/t10-,11+,12+,15+/m1/s1
InChIKeyQAUXTLSTIJIAJC-YXMPFFBPSA-N
MW309.86 g/mol
LogP4.13
Rot. Bonds4

About (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide

(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 98209551) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide
PubChem CID98209551
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC Name(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H20ClNOS/c1-10(20-14-6-4-13(17)5-7-14)16(19)18-15-9-11-2-3-12(15)8-11/h4-7,10-12,15H,2-3,8-9H2,1H3,(H,18,19)/t10-,11+,12+,15+/m1/s1
InChIKeyQAUXTLSTIJIAJC-YXMPFFBPSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylpropanamide
CID 881755
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 7816533
(2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 98670180
(2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 99939683
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 23328186
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 7030042
N-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119609657
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 18163880
2-(4-chlorophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 51073679
(2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 7816486
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chloro-N-methylsulfonylanilino)butanamide
CID 124822667

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide (CID 98209551) is (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide is C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is QAUXTLSTIJIAJC-YXMPFFBPSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-10(20-14-6-4-13(17)5-7-14)16(19)18-15-9-11-2-3-12(15)8-11/h4-7,10-12,15H,2-3,8-9H2,1H3,(H,18,19)/t10-,11+,12+,15+/m1/s1.
What are the key properties of (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide?
(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide has a molecular weight of 309.86 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 98209551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).