(2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide

C14H23N3O2S — CID 82962492

IUPAC(2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N(C)CCc1cccs1
InChIInChI=1S/C14H23N3O2S/c1-10(2)13(15)14(19)16-9-12(18)17(3)7-6-11-5-4-8-20-11/h4-5,8,10,13H,6-7,9,15H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyAASXDYSQEMBUFX-ZDUSSCGKSA-N
MW297.42 g/mol
LogP0.85
Rot. Bonds7

About (2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide

(2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide (PubChem CID 82962492) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide
PubChem CID82962492
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name(2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N(C)CCc1cccs1
InChIInChI=1S/C14H23N3O2S/c1-10(2)13(15)14(19)16-9-12(18)17(3)7-6-11-5-4-8-20-11/h4-5,8,10,13H,6-7,9,15H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyAASXDYSQEMBUFX-ZDUSSCGKSA-N
XLogP0.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide with MolForge

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Related Compounds

4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494506
2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494038
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600
3-methyl-5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79475565
2-amino-N-methyl-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79494111
2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119807077
methyl 4-[methyl(2-thiophen-2-ylethyl)amino]-4-oxobutanoate
CID 110733429
(2S)-3-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 79486957
2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide
CID 79487982
N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192
(3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide
CID 79493813
(2S)-2-amino-3-methyl-N-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]butanamide
CID 82961932

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide (CID 82962492) is (2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide is CC(C)[C@H](N)C(=O)NCC(=O)N(C)CCc1cccs1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide?
The InChIKey is AASXDYSQEMBUFX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10(2)13(15)14(19)16-9-12(18)17(3)7-6-11-5-4-8-20-11/h4-5,8,10,13H,6-7,9,15H2,1-3H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide?
(2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide has a molecular weight of 297.42 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide is sourced from PubChem (CID 82962492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).