N-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide

C21H19NO3S — CID 19645321

IUPACN-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)COc2ccc(NC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C21H19NO3S/c1-2-15-5-7-16(8-6-15)19(23)14-25-18-11-9-17(10-12-18)22-21(24)20-4-3-13-26-20/h3-13H,2,14H2,1H3,(H,22,24)
InChIKeyNYGFJAWGWCYWNR-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.82
Rot. Bonds7

About N-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide

N-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide (PubChem CID 19645321) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide
PubChem CID19645321
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC NameN-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)COc2ccc(NC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C21H19NO3S/c1-2-15-5-7-16(8-6-15)19(23)14-25-18-11-9-17(10-12-18)22-21(24)20-4-3-13-26-20/h3-13H,2,14H2,1H3,(H,22,24)
InChIKeyNYGFJAWGWCYWNR-UHFFFAOYSA-N
XLogP4.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenoxy)-1-thiophen-2-ylethanone
CID 43412734
[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate
CID 34736693
[2-(4-bromophenyl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 43029130
N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8935656
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
2-methylprop-2-enyl 4-(thiophene-2-carbonylamino)benzoate
CID 18122532
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate
CID 718334
ethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate
CID 39268528
4-[2-[2-[(4-ethylbenzoyl)amino]phenoxy]ethoxy]benzoic acid;4-[2-[2-(thiophene-2-carbonylamino)phenoxy]ethoxy]benzoic acid
CID 161453027
N-[2-chloro-5-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 30860283
[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815212

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide (CID 19645321) is N-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide is CCc1ccc(C(=O)COc2ccc(NC(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide?
The InChIKey is NYGFJAWGWCYWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-2-15-5-7-16(8-6-15)19(23)14-25-18-11-9-17(10-12-18)22-21(24)20-4-3-13-26-20/h3-13H,2,14H2,1H3,(H,22,24).
What are the key properties of N-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide?
N-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-ethylphenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19645321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).