2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide

C11H15ClN2O2S — CID 65245641

IUPAC2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide
SMILESCc1cc(CNC(=O)NC(=O)C(C)Cl)sc1C
InChIInChI=1S/C11H15ClN2O2S/c1-6-4-9(17-8(6)3)5-13-11(16)14-10(15)7(2)12/h4,7H,5H2,1-3H3,(H2,13,14,15,16)
InChIKeyQQPBBORAQUXSDN-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.32
Rot. Bonds3

About 2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide

2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide (PubChem CID 65245641) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide
PubChem CID65245641
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide
SMILESCc1cc(CNC(=O)NC(=O)C(C)Cl)sc1C
InChIInChI=1S/C11H15ClN2O2S/c1-6-4-9(17-8(6)3)5-13-11(16)14-10(15)7(2)12/h4,7H,5H2,1-3H3,(H2,13,14,15,16)
InChIKeyQQPBBORAQUXSDN-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.32
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

2-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
CID 107905367
3-[(4,5-dimethylthiophen-2-yl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66166580
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide
CID 166190895
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide
CID 65241375
2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide
CID 65244115
2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide
CID 81177144
1-[[(4,5-dimethylthiophen-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312589
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77061716
3-[(4,5-dimethylthiophen-2-yl)methylcarbamoylamino]-3-methylbutanoic acid
CID 65245781
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide
CID 65241720
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 79038909
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
CID 65241218

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide (CID 65245641) is 2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide is Cc1cc(CNC(=O)NC(=O)C(C)Cl)sc1C.
What is the InChIKey of 2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide?
The InChIKey is QQPBBORAQUXSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-6-4-9(17-8(6)3)5-13-11(16)14-10(15)7(2)12/h4,7H,5H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide?
2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide has a molecular weight of 274.77 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide is sourced from PubChem (CID 65245641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).