4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide

C21H26N2O2S — CID 7847490

IUPAC4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O2S/c1-21(2,3)16-8-12-18(13-9-16)26-14-19(24)22-17-10-6-15(7-11-17)20(25)23(4)5/h6-13H,14H2,1-5H3,(H,22,24)
InChIKeyKGPLHNLYROMXAT-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.42
Rot. Bonds5

About 4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide

4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide (PubChem CID 7847490) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
PubChem CID7847490
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O2S/c1-21(2,3)16-8-12-18(13-9-16)26-14-19(24)22-17-10-6-15(7-11-17)20(25)23(4)5/h6-13H,14H2,1-5H3,(H,22,24)
InChIKeyKGPLHNLYROMXAT-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
CID 40604506
4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2674334
2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3309206
4-[[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 31189964
4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 7703623
N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide
CID 26059347
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 3453386
N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide
CID 2969914
4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2674343
N,N-dimethyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 32849543
4-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2616464

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide (CID 7847490) is 4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)CSc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is KGPLHNLYROMXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-21(2,3)16-8-12-18(13-9-16)26-14-19(24)22-17-10-6-15(7-11-17)20(25)23(4)5/h6-13H,14H2,1-5H3,(H,22,24).
What are the key properties of 4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide?
4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 370.52 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 7847490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).