N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-4-ethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide

C23H29N3O4S — CID 3211293

IUPACN-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-4-ethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C23H29N3O4S/c1-2-30-19-12-10-18(11-13-19)26(16-21(27)25-17-7-4-3-5-8-17)22(28)15-24-23(29)20-9-6-14-31-20/h6,9-14,17H,2-5,7-8,15-16H2,1H3,(H,24,29)(H,25,27)
InChIKeyVJTXPEUCGROOPW-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.36
Rot. Bonds9

About N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-4-ethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-4-ethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211293) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-4-ethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-4-ethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211293
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-4-ethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C23H29N3O4S/c1-2-30-19-12-10-18(11-13-19)26(16-21(27)25-17-7-4-3-5-8-17)22(28)15-24-23(29)20-9-6-14-31-20/h6,9-14,17H,2-5,7-8,15-16H2,1H3,(H,24,29)(H,25,27)
InChIKeyVJTXPEUCGROOPW-UHFFFAOYSA-N
XLogP3.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-Methoxyphenyl)-2-thiophenecarboxamide
CID 573876
4-(Acetylamino)phenyl 2-thiophenecarboxylate
CID 128894
Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 896558
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 946539
3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 2469877
N-(5-methoxy-2-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 6471687
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9438703
(2S)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 16247900
1-(4-Methoxyphenyl)-3-[(thiophen-2-ylmethyl)amino]pyrrolidine-2,5-dione
CID 661792
Flaviviruses-IN-2
CID 3378615
2-[(chloroacetyl)(4-methoxyphenyl)amino]-N-(2-phenylethyl)-2-thien-2-ylacetamide
CID 3689416

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-4-ethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-4-ethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 3211293) is N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-4-ethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-4-ethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-4-ethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide is CCOc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-4-ethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is VJTXPEUCGROOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-2-30-19-12-10-18(11-13-19)26(16-21(27)25-17-7-4-3-5-8-17)22(28)15-24-23(29)20-9-6-14-31-20/h6,9-14,17H,2-5,7-8,15-16H2,1H3,(H,24,29)(H,25,27).
What are the key properties of N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-4-ethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-4-ethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-4-ethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).