N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide

C21H21NOS — CID 32576120

IUPACN-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc([C@H](NC(=O)Cc2cccs2)c2ccccc2)cc1C
InChIInChI=1S/C21H21NOS/c1-15-10-11-18(13-16(15)2)21(17-7-4-3-5-8-17)22-20(23)14-19-9-6-12-24-19/h3-13,21H,14H2,1-2H3,(H,22,23)/t21-/m1/s1
InChIKeyOACZZVXSGZBPAY-OAQYLSRUSA-N
MW335.47 g/mol
LogP4.81
Rot. Bonds5

About N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide

N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide (PubChem CID 32576120) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide
PubChem CID32576120
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC NameN-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc([C@H](NC(=O)Cc2cccs2)c2ccccc2)cc1C
InChIInChI=1S/C21H21NOS/c1-15-10-11-18(13-16(15)2)21(17-7-4-3-5-8-17)22-20(23)14-19-9-6-12-24-19/h3-13,21H,14H2,1-2H3,(H,22,23)/t21-/m1/s1
InChIKeyOACZZVXSGZBPAY-OAQYLSRUSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-2-thiophen-2-ylacetamide
CID 785978
N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide
CID 43011406
methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 62109356
(3S)-3-(carbamoylamino)-N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]-3-phenylpropanamide
CID 32576695
N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide
CID 113272323
N-[1-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 47004762
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide
CID 61121759
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
CID 26177693
[2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8717939
N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 110440374
N-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 32576772
3-[(2R)-2-borono-2-[(2-thiophen-2-ylacetyl)amino]ethyl]-4-methylbenzoic acid
CID 68734226

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide (CID 32576120) is N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide is Cc1ccc([C@H](NC(=O)Cc2cccs2)c2ccccc2)cc1C.
What is the InChIKey of N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide?
The InChIKey is OACZZVXSGZBPAY-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21NOS/c1-15-10-11-18(13-16(15)2)21(17-7-4-3-5-8-17)22-20(23)14-19-9-6-12-24-19/h3-13,21H,14H2,1-2H3,(H,22,23)/t21-/m1/s1.
What are the key properties of N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide?
N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide has a molecular weight of 335.47 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 32576120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).