2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid

C15H17NO3S2 — CID 80722552

IUPAC2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc3sccc3s2)CCCCC1
InChIInChI=1S/C15H17NO3S2/c17-13(18)9-15(5-2-1-3-6-15)16-14(19)12-8-11-10(21-12)4-7-20-11/h4,7-8H,1-3,5-6,9H2,(H,16,19)(H,17,18)
InChIKeyOYPDQHKTJIJZJM-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.87
Rot. Bonds4

About 2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid

2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid (PubChem CID 80722552) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid
PubChem CID80722552
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc3sccc3s2)CCCCC1
InChIInChI=1S/C15H17NO3S2/c17-13(18)9-15(5-2-1-3-6-15)16-14(19)12-8-11-10(21-12)4-7-20-11/h4,7-8H,1-3,5-6,9H2,(H,16,19)(H,17,18)
InChIKeyOYPDQHKTJIJZJM-UHFFFAOYSA-N
XLogP3.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid 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

2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid
CID 64673369
1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclopropane-1-carboxylic acid
CID 80734365
N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
CID 78995131
2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
CID 64670782
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid
CID 64672317
2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid
CID 79846619
1-methyl-2-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 83211818
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid
CID 80733577
2-[4-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215417
2-[1-[(5-bromofuran-3-carbonyl)amino]cyclohexyl]acetic acid
CID 75513389

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid (CID 80722552) is 2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)c2cc3sccc3s2)CCCCC1.
What is the InChIKey of 2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid?
The InChIKey is OYPDQHKTJIJZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c17-13(18)9-15(5-2-1-3-6-15)16-14(19)12-8-11-10(21-12)4-7-20-11/h4,7-8H,1-3,5-6,9H2,(H,16,19)(H,17,18).
What are the key properties of 2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid?
2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid has a molecular weight of 323.44 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thieno[3,2-b]thiophene-5-carbonylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 80722552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).