methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate

C11H14ClNO3S — CID 80641746

IUPACmethyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1sccc1Cl)C(C)C
InChIInChI=1S/C11H14ClNO3S/c1-6(2)8(11(15)16-3)13-10(14)9-7(12)4-5-17-9/h4-6,8H,1-3H3,(H,13,14)
InChIKeyGKYNWOZUMAJPJH-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.33
Rot. Bonds4

About methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate

methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate (PubChem CID 80641746) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate
PubChem CID80641746
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Namemethyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1sccc1Cl)C(C)C
InChIInChI=1S/C11H14ClNO3S/c1-6(2)8(11(15)16-3)13-10(14)9-7(12)4-5-17-9/h4-6,8H,1-3H3,(H,13,14)
InChIKeyGKYNWOZUMAJPJH-UHFFFAOYSA-N
XLogP2.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 80642584
methyl (2R)-2-[(3-chlorothiophene-2-carbonyl)amino]-4,4,4-trifluorobutanoate
CID 124738906
diethyl 2-[(3-chlorothiophene-2-carbonyl)amino]propanedioate
CID 80642748
N-(1-bromo-3-methylbutan-2-yl)-3-chlorothiophene-2-carboxamide
CID 114316213
3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 83186616
methyl 2-chloro-3-[(3-chlorothiophene-2-carbonyl)amino]propanoate
CID 103492752
methyl (2S)-2-[(3-chloro-4-iodobenzoyl)amino]-3-methylbutanoate
CID 113251860
methyl 2-bromo-3-[(3-chlorothiophene-2-carbonyl)amino]propanoate
CID 103492365
4-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 80645329
(2S)-2-[(3-methoxythiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81126687
methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate
CID 80641870
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-3-methylbutanoate
CID 113256400

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate (CID 80641746) is methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate is COC(=O)C(NC(=O)c1sccc1Cl)C(C)C.
What is the InChIKey of methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate?
The InChIKey is GKYNWOZUMAJPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-6(2)8(11(15)16-3)13-10(14)9-7(12)4-5-17-9/h4-6,8H,1-3H3,(H,13,14).
What are the key properties of methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate?
methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate has a molecular weight of 275.76 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 80641746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).