2-[(3-carbamoylthiophen-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid

C14H18N2O4S — CID 114511484

IUPAC2-[(3-carbamoylthiophen-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)Nc2sccc2C(N)=O)C1
InChIInChI=1S/C14H18N2O4S/c1-2-7-5-9(10(6-7)14(19)20)12(18)16-13-8(11(15)17)3-4-21-13/h3-4,7,9-10H,2,5-6H2,1H3,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyVHDPTHRUZPEYNC-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.92
Rot. Bonds5

About 2-[(3-carbamoylthiophen-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid

2-[(3-carbamoylthiophen-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 114511484) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[(3-carbamoylthiophen-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-carbamoylthiophen-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
PubChem CID114511484
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-[(3-carbamoylthiophen-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)Nc2sccc2C(N)=O)C1
InChIInChI=1S/C14H18N2O4S/c1-2-7-5-9(10(6-7)14(19)20)12(18)16-13-8(11(15)17)3-4-21-13/h3-4,7,9-10H,2,5-6H2,1H3,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyVHDPTHRUZPEYNC-UHFFFAOYSA-N
XLogP1.92
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-[(3-carbamoylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40623444
2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511489
4-ethyl-2-[(4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511373
6-[(3-ethoxycarbonylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6465288
2-(ethylamino)thiophene-3-carboxamide
CID 63089344
(1R,2S,3R,4S)-3-[(3-carbamoylthiophen-2-yl)carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 51421951
(1R,2R,3R,4R)-3-[(3-carbamoylthiophen-2-yl)carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 100718201
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
CID 79023007
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63646484
2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide
CID 65249970
trans-(1S,2S)-2-[[3-(carbamoylcarbamoyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 27518356

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylthiophen-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-carbamoylthiophen-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid (CID 114511484) is 2-[(3-carbamoylthiophen-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-carbamoylthiophen-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-carbamoylthiophen-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)Nc2sccc2C(N)=O)C1.
What is the InChIKey of 2-[(3-carbamoylthiophen-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is VHDPTHRUZPEYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-2-7-5-9(10(6-7)14(19)20)12(18)16-13-8(11(15)17)3-4-21-13/h3-4,7,9-10H,2,5-6H2,1H3,(H2,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[(3-carbamoylthiophen-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
2-[(3-carbamoylthiophen-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 310.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoylthiophen-2-yl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).