4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H21NO4S — CID 81118011

IUPAC4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2sccc2OC)(C(=O)O)CC1
InChIInChI=1S/C15H21NO4S/c1-3-10-4-7-15(8-5-10,14(18)19)16-13(17)12-11(20-2)6-9-21-12/h6,9-10H,3-5,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDZJFUUISZYSOME-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.91
Rot. Bonds5

About 4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid

4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 81118011) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID81118011
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2sccc2OC)(C(=O)O)CC1
InChIInChI=1S/C15H21NO4S/c1-3-10-4-7-15(8-5-10,14(18)19)16-13(17)12-11(20-2)6-9-21-12/h6,9-10H,3-5,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDZJFUUISZYSOME-UHFFFAOYSA-N
XLogP2.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(3-methoxythiophene-2-carbonyl)amino]thiolane-3-carboxylic acid
CID 124596091
N-[1-(hydroxymethyl)cyclohexyl]-3-methoxythiophene-2-carboxamide
CID 81122084
3-bromo-N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]thiophene-2-carboxamide
CID 77007083
4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 43341551
4-ethyl-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 100652190
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341548
1-[(2,5-dibromothiophene-3-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 103925797
4-ethyl-1-[(2-methylpyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 106752502
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide
CID 112699709
1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 62240588
4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120530176

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 81118011) is 4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)c2sccc2OC)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DZJFUUISZYSOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-3-10-4-7-15(8-5-10,14(18)19)16-13(17)12-11(20-2)6-9-21-12/h6,9-10H,3-5,7-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 311.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81118011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).