2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide

C12H15ClN2O2S — CID 61439057

IUPAC2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H15ClN2O2S/c1-8(13)11(16)14-12(17)15(10-2-3-10)6-9-4-5-18-7-9/h4-5,7-8,10H,2-3,6H2,1H3,(H,14,16,17)
InChIKeyQHDLOHNGBJXTTH-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.58
Rot. Bonds4

About 2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide

2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide (PubChem CID 61439057) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide
PubChem CID61439057
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H15ClN2O2S/c1-8(13)11(16)14-12(17)15(10-2-3-10)6-9-4-5-18-7-9/h4-5,7-8,10H,2-3,6H2,1H3,(H,14,16,17)
InChIKeyQHDLOHNGBJXTTH-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 78971232
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 61168167
2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 61167971
1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea
CID 91812769
2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114402
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
1-[1-(3-aminobutyl)piperidin-4-yl]-3-methoxy-1-(thiophen-3-ylmethyl)urea
CID 91283939
6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid
CID 61435678
N-cyclopropyl-2-oxo-N-(thiophen-3-ylmethyl)imidazolidine-1-carboxamide
CID 72717905
3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61435483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide (CID 61439057) is 2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide is CC(Cl)C(=O)NC(=O)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide?
The InChIKey is QHDLOHNGBJXTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c1-8(13)11(16)14-12(17)15(10-2-3-10)6-9-4-5-18-7-9/h4-5,7-8,10H,2-3,6H2,1H3,(H,14,16,17).
What are the key properties of 2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide?
2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide has a molecular weight of 286.78 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide is sourced from PubChem (CID 61439057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).