(2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide

C16H22N2OS2 — CID 104903015

IUPAC(2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C16H22N2OS2/c1-12(2)9-15(17)16(19)18(10-13-5-3-7-20-13)11-14-6-4-8-21-14/h3-8,12,15H,9-11,17H2,1-2H3/t15-/m1/s1
InChIKeyREUSYBVNHIUBDT-OAHLLOKOSA-N
MW322.50 g/mol
LogP3.71
Rot. Bonds7

About (2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide

(2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide (PubChem CID 104903015) has the molecular formula C16H22N2OS2 and a molecular weight of 322.50 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide
PubChem CID104903015
Molecular FormulaC16H22N2OS2
Molecular Weight322.50 g/mol
Exact Mass322.12
IUPAC Name(2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C16H22N2OS2/c1-12(2)9-15(17)16(19)18(10-13-5-3-7-20-13)11-14-6-4-8-21-14/h3-8,12,15H,9-11,17H2,1-2H3/t15-/m1/s1
InChIKeyREUSYBVNHIUBDT-OAHLLOKOSA-N
XLogP3.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(furan-2-ylmethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 104903002
2-amino-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 54869709
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271767
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119271759
2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide
CID 60953324
2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869064
2-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271522
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600
2-(aminomethyl)-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 65230128
3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 75468778
(2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 61164432

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide (CID 104903015) is (2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide is CC(C)C[C@@H](N)C(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of (2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide?
The InChIKey is REUSYBVNHIUBDT-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2OS2/c1-12(2)9-15(17)16(19)18(10-13-5-3-7-20-13)11-14-6-4-8-21-14/h3-8,12,15H,9-11,17H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide?
(2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide has a molecular weight of 322.50 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N,N-bis(thiophen-2-ylmethyl)pentanamide is sourced from PubChem (CID 104903015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).