(2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide

C15H20N2O2S2 — CID 61164432

IUPAC(2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCSCC[C@H](N)C(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-20-9-6-14(16)15(18)17(10-12-4-2-7-19-12)11-13-5-3-8-21-13/h2-5,7-8,14H,6,9-11,16H2,1H3/t14-/m0/s1
InChIKeyBODJZJNVXICRMH-AWEZNQCLSA-N
MW324.47 g/mol
LogP2.95
Rot. Bonds8

About (2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide

(2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 61164432) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is (2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID61164432
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name(2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCSCC[C@H](N)C(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-20-9-6-14(16)15(18)17(10-12-4-2-7-19-12)11-13-5-3-8-21-13/h2-5,7-8,14H,6,9-11,16H2,1H3/t14-/m0/s1
InChIKeyBODJZJNVXICRMH-AWEZNQCLSA-N
XLogP2.95
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869064
(2R)-2-amino-N-(furan-2-ylmethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 104903002
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 104907658
(2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 104906974
(2S)-2-amino-N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbutanamide
CID 61154534
2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55125927
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
(2R)-2-amino-N-cyclopentyl-N-(furan-2-ylmethyl)-4-methylsulfanylbutanamide
CID 104907713
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271767
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874
(2R)-2-amino-N-ethyl-N-(furan-2-ylmethyl)pentanamide
CID 107568950
(2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide
CID 104903015

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide (CID 61164432) is (2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide is CSCC[C@H](N)C(=O)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of (2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is BODJZJNVXICRMH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-20-9-6-14(16)15(18)17(10-12-4-2-7-19-12)11-13-5-3-8-21-13/h2-5,7-8,14H,6,9-11,16H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide?
(2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 324.47 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 61164432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).