(2-amino-5-ethylthiophen-3-yl)-(4-tert-butylphenyl)methanone

C17H21NOS — CID 1134164

IUPAC(2-amino-5-ethylthiophen-3-yl)-(4-tert-butylphenyl)methanone
SMILESCCc1cc(C(=O)c2ccc(C(C)(C)C)cc2)c(N)s1
InChIInChI=1S/C17H21NOS/c1-5-13-10-14(16(18)20-13)15(19)11-6-8-12(9-7-11)17(2,3)4/h6-10H,5,18H2,1-4H3
InChIKeyYUMMMHJHKREWTN-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.42
Rot. Bonds3

About (2-amino-5-ethylthiophen-3-yl)-(4-tert-butylphenyl)methanone

(2-amino-5-ethylthiophen-3-yl)-(4-tert-butylphenyl)methanone (PubChem CID 1134164) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is (2-amino-5-ethylthiophen-3-yl)-(4-tert-butylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-ethylthiophen-3-yl)-(4-tert-butylphenyl)methanone
PubChem CID1134164
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name(2-amino-5-ethylthiophen-3-yl)-(4-tert-butylphenyl)methanone
SMILESCCc1cc(C(=O)c2ccc(C(C)(C)C)cc2)c(N)s1
InChIInChI=1S/C17H21NOS/c1-5-13-10-14(16(18)20-13)15(19)11-6-8-12(9-7-11)17(2,3)4/h6-10H,5,18H2,1-4H3
InChIKeyYUMMMHJHKREWTN-UHFFFAOYSA-N
XLogP4.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-4,5-dimethylthiophen-3-yl)-(4-tert-butylphenyl)methanone
CID 10266082
(4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105093728
[3-[[3,5-bis(4-tert-butylbenzoyl)phenyl]methyl]-5-(4-tert-butylbenzoyl)phenyl]-(4-tert-butylphenyl)methanone
CID 58299012
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-methoxybenzamide
CID 2814381
(2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone
CID 102371413
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773
(4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 151405444
(5-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66258055
(4-tert-butylphenyl)-(4-propylphenyl)methanone
CID 24723303
3-amino-4-(4-tert-butylbenzoyl)cyclobut-3-ene-1,2-dione
CID 142659147
(4-tert-butylphenyl)-[6,16,18-tris(4-tert-butylbenzoyl)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-4-yl]methanone
CID 10534179
(4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone
CID 102497436

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-ethylthiophen-3-yl)-(4-tert-butylphenyl)methanone?
The IUPAC name of (2-amino-5-ethylthiophen-3-yl)-(4-tert-butylphenyl)methanone (CID 1134164) is (2-amino-5-ethylthiophen-3-yl)-(4-tert-butylphenyl)methanone.
What is the SMILES notation for (2-amino-5-ethylthiophen-3-yl)-(4-tert-butylphenyl)methanone?
The canonical SMILES for (2-amino-5-ethylthiophen-3-yl)-(4-tert-butylphenyl)methanone is CCc1cc(C(=O)c2ccc(C(C)(C)C)cc2)c(N)s1.
What is the InChIKey of (2-amino-5-ethylthiophen-3-yl)-(4-tert-butylphenyl)methanone?
The InChIKey is YUMMMHJHKREWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-5-13-10-14(16(18)20-13)15(19)11-6-8-12(9-7-11)17(2,3)4/h6-10H,5,18H2,1-4H3.
What are the key properties of (2-amino-5-ethylthiophen-3-yl)-(4-tert-butylphenyl)methanone?
(2-amino-5-ethylthiophen-3-yl)-(4-tert-butylphenyl)methanone has a molecular weight of 287.43 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-ethylthiophen-3-yl)-(4-tert-butylphenyl)methanone is sourced from PubChem (CID 1134164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).