N-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide

C22H22N2O3S — CID 55675242

IUPACN-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1ccccc1OCCc1ccccc1
InChIInChI=1S/C22H22N2O3S/c25-21(12-14-23-22(26)20-11-6-16-28-20)24-18-9-4-5-10-19(18)27-15-13-17-7-2-1-3-8-17/h1-11,16H,12-15H2,(H,23,26)(H,24,25)
InChIKeyVSFNLFJVHYCCCS-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.13
Rot. Bonds9

About N-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide

N-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide (PubChem CID 55675242) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide
PubChem CID55675242
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1ccccc1OCCc1ccccc1
InChIInChI=1S/C22H22N2O3S/c25-21(12-14-23-22(26)20-11-6-16-28-20)24-18-9-4-5-10-19(18)27-15-13-17-7-2-1-3-8-17/h1-11,16H,12-15H2,(H,23,26)(H,24,25)
InChIKeyVSFNLFJVHYCCCS-UHFFFAOYSA-N
XLogP4.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide
CID 17131369
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033
2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate
CID 31741424
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 24660504
N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499997
methyl 2-[4-(thiophene-2-carbonylamino)butanoylamino]benzoate
CID 39753213
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 51180135
N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide
CID 47037132

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide (CID 55675242) is N-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide is O=C(CCNC(=O)c1cccs1)Nc1ccccc1OCCc1ccccc1.
What is the InChIKey of N-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide?
The InChIKey is VSFNLFJVHYCCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c25-21(12-14-23-22(26)20-11-6-16-28-20)24-18-9-4-5-10-19(18)27-15-13-17-7-2-1-3-8-17/h1-11,16H,12-15H2,(H,23,26)(H,24,25).
What are the key properties of N-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide?
N-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 55675242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).