2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide

C11H15ClN2O2S — CID 54968395

IUPAC2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide
SMILESCC(C)C(NC(=O)NC(=O)CCl)c1cccs1
InChIInChI=1S/C11H15ClN2O2S/c1-7(2)10(8-4-3-5-17-8)14-11(16)13-9(15)6-12/h3-5,7,10H,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyPVZKMGJRVOVBOC-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.51
Rot. Bonds4

About 2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide

2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide (PubChem CID 54968395) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide
PubChem CID54968395
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide
SMILESCC(C)C(NC(=O)NC(=O)CCl)c1cccs1
InChIInChI=1S/C11H15ClN2O2S/c1-7(2)10(8-4-3-5-17-8)14-11(16)13-9(15)6-12/h3-5,7,10H,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyPVZKMGJRVOVBOC-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
2-hydroxy-2-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]propanoic acid
CID 66177213
1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea
CID 115575874
2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43709161
2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 112604514
3-(cyclopropylamino)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 60866044
2-bromo-3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43699738
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179
(2S)-2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 79024579
5-amino-N-(2-methyl-1-thiophen-2-ylpropyl)hexanamide
CID 82848158
2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 65225067

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide (CID 54968395) is 2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide is CC(C)C(NC(=O)NC(=O)CCl)c1cccs1.
What is the InChIKey of 2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide?
The InChIKey is PVZKMGJRVOVBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-7(2)10(8-4-3-5-17-8)14-11(16)13-9(15)6-12/h3-5,7,10H,6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide?
2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide has a molecular weight of 274.77 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide is sourced from PubChem (CID 54968395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).