2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid

C14H14N2O3S2 — CID 63114402

IUPAC2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1NC(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C14H14N2O3S2/c17-13(18)11-4-6-21-12(11)15-14(19)16(10-1-2-10)7-9-3-5-20-8-9/h3-6,8,10H,1-2,7H2,(H,15,19)(H,17,18)
InChIKeyQFHUUFYOYBCULL-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.70
Rot. Bonds5

About 2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid

2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 63114402) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID63114402
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1NC(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C14H14N2O3S2/c17-13(18)11-4-6-21-12(11)15-14(19)16(10-1-2-10)7-9-3-5-20-8-9/h3-6,8,10H,1-2,7H2,(H,15,19)(H,17,18)
InChIKeyQFHUUFYOYBCULL-UHFFFAOYSA-N
XLogP3.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114301
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 78971232
2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide
CID 61439057
6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid
CID 61435678
2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63113816
1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea
CID 91812769
2-[[2-methoxyethyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114405
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55168036
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842220
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114746

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid (CID 63114402) is 2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid is O=C(O)c1ccsc1NC(=O)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is QFHUUFYOYBCULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c17-13(18)11-4-6-21-12(11)15-14(19)16(10-1-2-10)7-9-3-5-20-8-9/h3-6,8,10H,1-2,7H2,(H,15,19)(H,17,18).
What are the key properties of 2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 322.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).