N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide

C13H12ClNOS — CID 114300019

IUPACN-(2-chloro-1-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NC(CCl)c1ccccc1)c1cccs1
InChIInChI=1S/C13H12ClNOS/c14-9-11(10-5-2-1-3-6-10)15-13(16)12-7-4-8-17-12/h1-8,11H,9H2,(H,15,16)
InChIKeyBURJVVRMCQKHRQ-UHFFFAOYSA-N
MW265.76 g/mol
LogP3.46
Rot. Bonds4

About N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide

N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide (PubChem CID 114300019) has the molecular formula C13H12ClNOS and a molecular weight of 265.76 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)thiophene-2-carboxamide
PubChem CID114300019
Molecular FormulaC13H12ClNOS
Molecular Weight265.76 g/mol
Exact Mass265.03
IUPAC NameN-(2-chloro-1-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NC(CCl)c1ccccc1)c1cccs1
InChIInChI=1S/C13H12ClNOS/c14-9-11(10-5-2-1-3-6-10)15-13(16)12-7-4-8-17-12/h1-8,11H,9H2,(H,15,16)
InChIKeyBURJVVRMCQKHRQ-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 969744
[2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate
CID 3585331
(3S)-3-(4-chlorophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 717591
(3R)-3-(4-aminophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 141022338
N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide
CID 113272323
3-(2-chlorophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 45430554
N-(2-chloro-1-phenylethyl)-2-ethylbenzamide
CID 114300081
N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 4122342
N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498
N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide
CID 114300037
N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide
CID 95151159
N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide
CID 9479293

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide (CID 114300019) is N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide is O=C(NC(CCl)c1ccccc1)c1cccs1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide?
The InChIKey is BURJVVRMCQKHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c14-9-11(10-5-2-1-3-6-10)15-13(16)12-7-4-8-17-12/h1-8,11H,9H2,(H,15,16).
What are the key properties of N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide?
N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide has a molecular weight of 265.76 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 114300019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).