ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate

C12H17NO3S — CID 60637607

IUPACethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1ccc(C)s1
InChIInChI=1S/C12H17NO3S/c1-3-16-11(14)5-4-8-13-12(15)10-7-6-9(2)17-10/h6-7H,3-5,8H2,1-2H3,(H,13,15)
InChIKeyULGMFHWCIVPOTE-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.13
Rot. Bonds6

About ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate

ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate (PubChem CID 60637607) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate
PubChem CID60637607
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Nameethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1ccc(C)s1
InChIInChI=1S/C12H17NO3S/c1-3-16-11(14)5-4-8-13-12(15)10-7-6-9(2)17-10/h6-7H,3-5,8H2,1-2H3,(H,13,15)
InChIKeyULGMFHWCIVPOTE-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate
CID 43404553
ethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]butanoate
CID 37258738
N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide
CID 62665926
5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide
CID 47337072
N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene
CID 143748403
ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate
CID 37260222
N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide
CID 130710625
N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 81484281
ethyl 4-[(3,4-dimethylbenzoyl)amino]butanoate
CID 60637398
5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 134055886
ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate
CID 103604563
ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate
CID 30948448

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate?
The IUPAC name of ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate (CID 60637607) is ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate is CCOC(=O)CCCNC(=O)c1ccc(C)s1.
What is the InChIKey of ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate?
The InChIKey is ULGMFHWCIVPOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-16-11(14)5-4-8-13-12(15)10-7-6-9(2)17-10/h6-7H,3-5,8H2,1-2H3,(H,13,15).
What are the key properties of ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate?
ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate has a molecular weight of 255.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate is sourced from PubChem (CID 60637607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).