N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide

C15H16ClNOS — CID 51947501

IUPACN-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide
SMILESC[C@@H](Cc1cccc(Cl)c1)NC(=O)Cc1cccs1
InChIInChI=1S/C15H16ClNOS/c1-11(8-12-4-2-5-13(16)9-12)17-15(18)10-14-6-3-7-19-14/h2-7,9,11H,8,10H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyWDNCKDBDQFBFRK-NSHDSACASA-N
MW293.82 g/mol
LogP3.69
Rot. Bonds5

About N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide

N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 51947501) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide
PubChem CID51947501
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC NameN-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide
SMILESC[C@@H](Cc1cccc(Cl)c1)NC(=O)Cc1cccs1
InChIInChI=1S/C15H16ClNOS/c1-11(8-12-4-2-5-13(16)9-12)17-15(18)10-14-6-3-7-19-14/h2-7,9,11H,8,10H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyWDNCKDBDQFBFRK-NSHDSACASA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide
CID 114299702
N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide
CID 60843071
N-[(2R)-1-hydroxypropan-2-yl]-2-thiophen-2-ylacetamide
CID 39086744
2-(3-methoxyphenyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 51895007
3-chloro-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330910
2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide
CID 78972710
4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide
CID 81075790
2-[(3-chlorophenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60793081
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide
CID 96958726
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenyl)acetamide;hydrochloride
CID 120505616
N-(1-aminoethyl)-2-thiophen-2-ylacetamide
CID 173143442
N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
CID 62637658

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide (CID 51947501) is N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide is C[C@@H](Cc1cccc(Cl)c1)NC(=O)Cc1cccs1.
What is the InChIKey of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is WDNCKDBDQFBFRK-NSHDSACASA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-11(8-12-4-2-5-13(16)9-12)17-15(18)10-14-6-3-7-19-14/h2-7,9,11H,8,10H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide?
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 293.82 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 51947501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).