2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide

C21H22N2OS — CID 17499470

IUPAC2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCc1ccc(C)c(NCC(=O)NC(c2ccccc2)c2cccs2)c1
InChIInChI=1S/C21H22N2OS/c1-15-10-11-16(2)18(13-15)22-14-20(24)23-21(19-9-6-12-25-19)17-7-4-3-5-8-17/h3-13,21-22H,14H2,1-2H3,(H,23,24)
InChIKeySSWHTPIEBRLRGJ-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.68
Rot. Bonds6

About 2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide

2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 17499470) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID17499470
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCc1ccc(C)c(NCC(=O)NC(c2ccccc2)c2cccs2)c1
InChIInChI=1S/C21H22N2OS/c1-15-10-11-16(2)18(13-15)22-14-20(24)23-21(19-9-6-12-25-19)17-7-4-3-5-8-17/h3-13,21-22H,14H2,1-2H3,(H,23,24)
InChIKeySSWHTPIEBRLRGJ-UHFFFAOYSA-N
XLogP4.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41392516
2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 17499467
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-(2-methoxy-5-methylphenyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 24682654
2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 78912542
2-(3,5-dimethylphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853783
2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41397075
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46614583
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-(4-methylphenyl)acetate
CID 46611974
2-[methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786221
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8805898

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide (CID 17499470) is 2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide is Cc1ccc(C)c(NCC(=O)NC(c2ccccc2)c2cccs2)c1.
What is the InChIKey of 2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is SSWHTPIEBRLRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-15-10-11-16(2)18(13-15)22-14-20(24)23-21(19-9-6-12-25-19)17-7-4-3-5-8-17/h3-13,21-22H,14H2,1-2H3,(H,23,24).
What are the key properties of 2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide?
2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 350.49 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 17499470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).