N-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide

C13H13ClN2OS — CID 43242501

IUPACN-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
SMILESO=C(CNCc1cccs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2OS/c14-10-3-5-11(6-4-10)16-13(17)9-15-8-12-2-1-7-18-12/h1-7,15H,8-9H2,(H,16,17)
InChIKeyBWFXZIJYWBMNHT-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.13
Rot. Bonds5

About N-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide

N-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide (PubChem CID 43242501) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
PubChem CID43242501
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC NameN-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
SMILESO=C(CNCc1cccs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2OS/c14-10-3-5-11(6-4-10)16-13(17)9-15-8-12-2-1-7-18-12/h1-7,15H,8-9H2,(H,16,17)
InChIKeyBWFXZIJYWBMNHT-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 43242497
N-(4-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide chloride
CID 53347816
N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 2455483
4-chloro-3-[[2-(thiophen-2-ylmethylamino)acetyl]amino]benzoic acid
CID 103237382
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397
N-benzyl-2-(thiophen-2-ylmethylamino)acetamide
CID 43242498
N-(4-chlorophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677854
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 112997181
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 17395086
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113047543
N-[4-[acetyl(methyl)amino]phenyl]-2-(2-thiophen-2-ylethylamino)acetamide
CID 50971166
N-(4-chlorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide
CID 62846100

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide (CID 43242501) is N-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide is O=C(CNCc1cccs1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide?
The InChIKey is BWFXZIJYWBMNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c14-10-3-5-11(6-4-10)16-13(17)9-15-8-12-2-1-7-18-12/h1-7,15H,8-9H2,(H,16,17).
What are the key properties of N-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide?
N-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide has a molecular weight of 280.78 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetamide is sourced from PubChem (CID 43242501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).