2-(4-tert-butylphenyl)sulfanyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]acetamide

C26H34N2O3S — CID 112807627

IUPAC2-(4-tert-butylphenyl)sulfanyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]acetamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)CSc3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C26H34N2O3S/c1-5-31-22-10-6-19(7-11-22)25(30)28-16-14-21(15-17-28)27-24(29)18-32-23-12-8-20(9-13-23)26(2,3)4/h6-13,21H,5,14-18H2,1-4H3,(H,27,29)
InChIKeyVNEPFMVTJKXMPB-UHFFFAOYSA-N
MW454.64 g/mol
LogP4.90
Rot. Bonds7

About 2-(4-tert-butylphenyl)sulfanyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]acetamide

2-(4-tert-butylphenyl)sulfanyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]acetamide (PubChem CID 112807627) has the molecular formula C26H34N2O3S and a molecular weight of 454.64 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfanyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfanyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]acetamide
PubChem CID112807627
Molecular FormulaC26H34N2O3S
Molecular Weight454.64 g/mol
Exact Mass454.23
IUPAC Name2-(4-tert-butylphenyl)sulfanyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]acetamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)CSc3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C26H34N2O3S/c1-5-31-22-10-6-19(7-11-22)25(30)28-16-14-21(15-17-28)27-24(29)18-32-23-12-8-20(9-13-23)26(2,3)4/h6-13,21H,5,14-18H2,1-4H3,(H,27,29)
InChIKeyVNEPFMVTJKXMPB-UHFFFAOYSA-N
XLogP4.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553085
2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108561343
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
N-(4-aminocyclohexyl)-2-(4-tert-butylphenyl)sulfanylacetamide
CID 119476399
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide
CID 112804103
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
CID 108551873
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556694
N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 46684567
3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112838965
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]acetamide (CID 112807627) is 2-(4-tert-butylphenyl)sulfanyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfanyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfanyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]acetamide is CCOc1ccc(C(=O)N2CCC(NC(=O)CSc3ccc(C(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfanyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]acetamide?
The InChIKey is VNEPFMVTJKXMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3S/c1-5-31-22-10-6-19(7-11-22)25(30)28-16-14-21(15-17-28)27-24(29)18-32-23-12-8-20(9-13-23)26(2,3)4/h6-13,21H,5,14-18H2,1-4H3,(H,27,29).
What are the key properties of 2-(4-tert-butylphenyl)sulfanyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]acetamide?
2-(4-tert-butylphenyl)sulfanyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]acetamide has a molecular weight of 454.64 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfanyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 112807627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).