methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate

C13H19NO3S — CID 79769737

IUPACmethyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1cscc1C)C(=O)OC
InChIInChI=1S/C13H19NO3S/c1-5-6-13(3,12(16)17-4)14-11(15)10-8-18-7-9(10)2/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeySCKGKNNKCTWCIP-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.52
Rot. Bonds5

About methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate

methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate (PubChem CID 79769737) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate
PubChem CID79769737
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Namemethyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1cscc1C)C(=O)OC
InChIInChI=1S/C13H19NO3S/c1-5-6-13(3,12(16)17-4)14-11(15)10-8-18-7-9(10)2/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeySCKGKNNKCTWCIP-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate
CID 115745717
methyl 2-[(2-iodo-3-methylbenzoyl)amino]-2-methylpentanoate
CID 47350798
methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate
CID 82830810
N-tert-butyl-4-methylthiophene-3-carboxamide
CID 79770886
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide
CID 110003125
methyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate
CID 60565492
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
CID 43423938
methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate
CID 112822198
methyl 2-[(3,5-dibromobenzoyl)amino]-2-methylpentanoate
CID 107973836
methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate
CID 114822096
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate
CID 115694595

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate (CID 79769737) is methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate is CCCC(C)(NC(=O)c1cscc1C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate?
The InChIKey is SCKGKNNKCTWCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-5-6-13(3,12(16)17-4)14-11(15)10-8-18-7-9(10)2/h7-8H,5-6H2,1-4H3,(H,14,15).
What are the key properties of methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate?
methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate has a molecular weight of 269.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate is sourced from PubChem (CID 79769737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).