N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide

C14H14ClNOS — CID 113272323

IUPACN-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC(CCl)c1ccccc1
InChIInChI=1S/C14H14ClNOS/c15-10-13(11-5-2-1-3-6-11)16-14(17)9-12-7-4-8-18-12/h1-8,13H,9-10H2,(H,16,17)
InChIKeyCMRNSQPNOQJFKY-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.39
Rot. Bonds5

About N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide

N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide (PubChem CID 113272323) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide
PubChem CID113272323
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC NameN-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC(CCl)c1ccccc1
InChIInChI=1S/C14H14ClNOS/c15-10-13(11-5-2-1-3-6-11)16-14(17)9-12-7-4-8-18-12/h1-8,13H,9-10H2,(H,16,17)
InChIKeyCMRNSQPNOQJFKY-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.39
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

N-(2-chloro-1-phenylethyl)-4-thiophen-2-ylbutanamide
CID 114300037
N-benzhydryl-2-thiophen-2-ylacetamide
CID 785978
N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide
CID 114299702
N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide
CID 114300019
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide
CID 61121759
methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 62109356
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-thiophen-2-ylacetamide
CID 51082883
(3R)-3-(3-bromophenyl)-3-[(2-thiophen-2-ylacetyl)amino]propanoic acid
CID 100633806
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide
CID 31932218
N-[4-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55650603
N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide
CID 114300105
N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide
CID 32576120

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide (CID 113272323) is N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NC(CCl)c1ccccc1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide?
The InChIKey is CMRNSQPNOQJFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c15-10-13(11-5-2-1-3-6-11)16-14(17)9-12-7-4-8-18-12/h1-8,13H,9-10H2,(H,16,17).
What are the key properties of N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide?
N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide has a molecular weight of 279.79 g/mol, XLogP of 3.39, 5 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)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113272323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).