methyl 2-[(5-butylthiophene-2-carbonyl)amino]acetate

C12H17NO3S — CID 19427379

IUPACmethyl 2-[(5-butylthiophene-2-carbonyl)amino]acetate
SMILESCCCCc1ccc(C(=O)NCC(=O)OC)s1
InChIInChI=1S/C12H17NO3S/c1-3-4-5-9-6-7-10(17-9)12(15)13-8-11(14)16-2/h6-7H,3-5,8H2,1-2H3,(H,13,15)
InChIKeyTXZIEORVIPOSKP-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.99
Rot. Bonds6

About methyl 2-[(5-butylthiophene-2-carbonyl)amino]acetate

methyl 2-[(5-butylthiophene-2-carbonyl)amino]acetate (PubChem CID 19427379) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is methyl 2-[(5-butylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-butylthiophene-2-carbonyl)amino]acetate
PubChem CID19427379
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Namemethyl 2-[(5-butylthiophene-2-carbonyl)amino]acetate
SMILESCCCCc1ccc(C(=O)NCC(=O)OC)s1
InChIInChI=1S/C12H17NO3S/c1-3-4-5-9-6-7-10(17-9)12(15)13-8-11(14)16-2/h6-7H,3-5,8H2,1-2H3,(H,13,15)
InChIKeyTXZIEORVIPOSKP-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-butylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(5-butylthiophene-2-carbonyl)amino]acetate (CID 19427379) is methyl 2-[(5-butylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-butylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-butylthiophene-2-carbonyl)amino]acetate is CCCCc1ccc(C(=O)NCC(=O)OC)s1.
What is the InChIKey of methyl 2-[(5-butylthiophene-2-carbonyl)amino]acetate?
The InChIKey is TXZIEORVIPOSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-4-5-9-6-7-10(17-9)12(15)13-8-11(14)16-2/h6-7H,3-5,8H2,1-2H3,(H,13,15).
What are the key properties of methyl 2-[(5-butylthiophene-2-carbonyl)amino]acetate?
methyl 2-[(5-butylthiophene-2-carbonyl)amino]acetate has a molecular weight of 255.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-butylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 19427379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).