N-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]acetamide

C18H21NO2S — CID 2809013

IUPACN-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)sc1C(C)=O
InChIInChI=1S/C18H21NO2S/c1-11(20)17-15(19-12(2)21)10-16(22-17)13-6-8-14(9-7-13)18(3,4)5/h6-10H,1-5H3,(H,19,21)
InChIKeyDPTOFWAJUCRMCL-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.87
Rot. Bonds3

About N-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]acetamide

N-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]acetamide (PubChem CID 2809013) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]acetamide
PubChem CID2809013
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)sc1C(C)=O
InChIInChI=1S/C18H21NO2S/c1-11(20)17-15(19-12(2)21)10-16(22-17)13-6-8-14(9-7-13)18(3,4)5/h6-10H,1-5H3,(H,19,21)
InChIKeyDPTOFWAJUCRMCL-UHFFFAOYSA-N
XLogP4.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]benzenesulfonamide
CID 2809020
N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]thiophene-2-carboxamide
CID 2809109
2-acetamido-5-tert-butylbenzoic acid
CID 42560637
5-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
CID 2757211
N-(2-bromo-5-tert-butylphenyl)acetamide
CID 146504103
(E)-3-[5-(4-tert-butylphenyl)thiophen-2-yl]but-2-enoic acid
CID 82543806
3-[(5-bromothiophene-2-carbonyl)amino]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CID 53470428
1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
CID 82430136
3-[(4-methylbenzoyl)amino]-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxylic acid
CID 20775718
1-(3-amino-5-phenylthiophen-2-yl)ethanone
CID 2807849
2-[(4-tert-butylbenzoyl)amino]-5-phenylthiophene-3-carboxylic acid
CID 28860572
5-(4-chlorophenyl)-3-(methylamino)thiophene-2-carboxylic acid
CID 118486195

Frequently Asked Questions

What is the IUPAC name of N-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]acetamide?
The IUPAC name of N-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]acetamide (CID 2809013) is N-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]acetamide is CC(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)sc1C(C)=O.
What is the InChIKey of N-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]acetamide?
The InChIKey is DPTOFWAJUCRMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-11(20)17-15(19-12(2)21)10-16(22-17)13-6-8-14(9-7-13)18(3,4)5/h6-10H,1-5H3,(H,19,21).
What are the key properties of N-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]acetamide?
N-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]acetamide has a molecular weight of 315.44 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]acetamide is sourced from PubChem (CID 2809013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).