(2-amino-5-ethylthiophen-3-yl)-(4-methoxyphenyl)methanone

C14H15NO2S — CID 2814015

IUPAC(2-amino-5-ethylthiophen-3-yl)-(4-methoxyphenyl)methanone
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(N)s1
InChIInChI=1S/C14H15NO2S/c1-3-11-8-12(14(15)18-11)13(16)9-4-6-10(17-2)7-5-9/h4-8H,3,15H2,1-2H3
InChIKeyWDAZPZGZSHLBCF-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.13
Rot. Bonds4

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

(2-amino-5-ethylthiophen-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 2814015) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is (2-amino-5-ethylthiophen-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-ethylthiophen-3-yl)-(4-methoxyphenyl)methanone
PubChem CID2814015
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name(2-amino-5-ethylthiophen-3-yl)-(4-methoxyphenyl)methanone
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(N)s1
InChIInChI=1S/C14H15NO2S/c1-3-11-8-12(14(15)18-11)13(16)9-4-6-10(17-2)7-5-9/h4-8H,3,15H2,1-2H3
InChIKeyWDAZPZGZSHLBCF-UHFFFAOYSA-N
XLogP3.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-amino-5-phenylthiophene-3-carboxylate
CID 705256
Methyl 2-amino-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylate
CID 874645
Ethyl 3-Amino-5-(4-Methoxyphenyl)-2-Thiophenecarboxylate
CID 825579
Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 727641
3-(4-Methoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 759066
3-Amino-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 4278270
Ethyl 2-amino-4-(2-fluoro-4-methoxyphenyl)thiophene-3-carboxylate
CID 71009786
Methyl 2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophene-3-carboxylate
CID 72703809
Ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 703945
(2-Amino-5-ethylthiophen-3-yl)-(2-methoxyphenyl)methanone
CID 649834
(2-Amino-3-thienyl)(4-methoxyphenyl)methanone
CID 855516
5-(4-methoxyphenyl)-N-methyl-2-thiophenecarboxamide
CID 1483382

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-ethylthiophen-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (2-amino-5-ethylthiophen-3-yl)-(4-methoxyphenyl)methanone (CID 2814015) is (2-amino-5-ethylthiophen-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (2-amino-5-ethylthiophen-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (2-amino-5-ethylthiophen-3-yl)-(4-methoxyphenyl)methanone is CCc1cc(C(=O)c2ccc(OC)cc2)c(N)s1.
What is the InChIKey of (2-amino-5-ethylthiophen-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is WDAZPZGZSHLBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-11-8-12(14(15)18-11)13(16)9-4-6-10(17-2)7-5-9/h4-8H,3,15H2,1-2H3.
What are the key properties of (2-amino-5-ethylthiophen-3-yl)-(4-methoxyphenyl)methanone?
(2-amino-5-ethylthiophen-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 261.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-ethylthiophen-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 2814015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).