(2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide

C14H21ClN2O2S — CID 61180506

IUPAC(2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)[C@@H](N)CCSC
InChIInChI=1S/C14H21ClN2O2S/c1-3-7-19-13-5-4-10(15)9-12(13)17-14(18)11(16)6-8-20-2/h4-5,9,11H,3,6-8,16H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyCUNPMWDRCBFEDP-NSHDSACASA-N
MW316.85 g/mol
LogP3.15
Rot. Bonds8

About (2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide (PubChem CID 61180506) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide
PubChem CID61180506
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name(2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)[C@@H](N)CCSC
InChIInChI=1S/C14H21ClN2O2S/c1-3-7-19-13-5-4-10(15)9-12(13)17-14(18)11(16)6-8-20-2/h4-5,9,11H,3,6-8,16H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyCUNPMWDRCBFEDP-NSHDSACASA-N
XLogP3.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide
CID 119317523
2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119317522
(2R)-2-amino-N-(5-chloro-2-methylphenyl)-4-methylsulfanylbutanamide
CID 104906873
(2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide
CID 103929030
2-bromo-N-(5-chloro-2-propoxyphenyl)butanamide
CID 62854326
2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide
CID 81083183
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
(2S)-2-amino-N-[3-(2,4-dichlorophenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119306639
(2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide
CID 119317513
2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide
CID 54862650
(2S)-2-amino-N-(2-ethoxyphenyl)-4-methylsulfanylbutanamide
CID 22691913
5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide
CID 82011180

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide (CID 61180506) is (2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide is CCCOc1ccc(Cl)cc1NC(=O)[C@@H](N)CCSC.
What is the InChIKey of (2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide?
The InChIKey is CUNPMWDRCBFEDP-NSHDSACASA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-3-7-19-13-5-4-10(15)9-12(13)17-14(18)11(16)6-8-20-2/h4-5,9,11H,3,6-8,16H2,1-2H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide has a molecular weight of 316.85 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 61180506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).