2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide

C11H15ClN2O2S — CID 79487982

IUPAC2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)N(C)CCc1cccs1
InChIInChI=1S/C11H15ClN2O2S/c1-8(12)10(15)13-11(16)14(2)6-5-9-4-3-7-17-9/h3-4,7-8H,5-6H2,1-2H3,(H,13,15,16)
InChIKeyMDHVQQIQSUWRLW-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.09
Rot. Bonds4

About 2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide

2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide (PubChem CID 79487982) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide
PubChem CID79487982
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)N(C)CCc1cccs1
InChIInChI=1S/C11H15ClN2O2S/c1-8(12)10(15)13-11(16)14(2)6-5-9-4-3-7-17-9/h3-4,7-8H,5-6H2,1-2H3,(H,13,15,16)
InChIKeyMDHVQQIQSUWRLW-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.09
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)-3-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 79486957
4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid
CID 79487438
(2S)-3-hydroxy-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 79487158
N,2-dimethyl-3-(methylamino)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119807079
(2R)-4-hydroxy-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 114005739
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494506
2-[methyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 79487976
(2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide
CID 82962492
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
2-amino-N-methyl-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79494111
3-methyl-5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79475565
3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 79036876

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide (CID 79487982) is 2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide is CC(Cl)C(=O)NC(=O)N(C)CCc1cccs1.
What is the InChIKey of 2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide?
The InChIKey is MDHVQQIQSUWRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-8(12)10(15)13-11(16)14(2)6-5-9-4-3-7-17-9/h3-4,7-8H,5-6H2,1-2H3,(H,13,15,16).
What are the key properties of 2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide?
2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide has a molecular weight of 274.77 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide is sourced from PubChem (CID 79487982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).