5-(4-phenoxyphenyl)-N,N-dipropylthiophene-2-carboxamide

C23H25NO2S — CID 46082678

IUPAC5-(4-phenoxyphenyl)-N,N-dipropylthiophene-2-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C23H25NO2S/c1-3-16-24(17-4-2)23(25)22-15-14-21(27-22)18-10-12-20(13-11-18)26-19-8-6-5-7-9-19/h5-15H,3-4,16-17H2,1-2H3
InChIKeyGUOXUQKYDLRXOG-UHFFFAOYSA-N
MW379.53 g/mol
LogP6.47
Rot. Bonds8

About 5-(4-phenoxyphenyl)-N,N-dipropylthiophene-2-carboxamide

5-(4-phenoxyphenyl)-N,N-dipropylthiophene-2-carboxamide (PubChem CID 46082678) has the molecular formula C23H25NO2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 5-(4-phenoxyphenyl)-N,N-dipropylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-phenoxyphenyl)-N,N-dipropylthiophene-2-carboxamide
PubChem CID46082678
Molecular FormulaC23H25NO2S
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC Name5-(4-phenoxyphenyl)-N,N-dipropylthiophene-2-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C23H25NO2S/c1-3-16-24(17-4-2)23(25)22-15-14-21(27-22)18-10-12-20(13-11-18)26-19-8-6-5-7-9-19/h5-15H,3-4,16-17H2,1-2H3
InChIKeyGUOXUQKYDLRXOG-UHFFFAOYSA-N
XLogP6.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-(4-phenoxyphenyl)-N-prop-2-ynylthiophene-2-carboxamide
CID 46082910
N,N-dibenzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 46082653
N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 46082949
N-[(4S,10bS)-6-oxo-4-prop-1-enyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-(4-phenoxyphenyl)-N-propylthiophene-2-carboxamide
CID 71959166
5-bromo-N,N-dipropylthiophene-2-carboxamide
CID 60635948
(2-methylpyrrolidin-1-yl)-[5-(4-phenoxyphenyl)thiophen-2-yl]methanone
CID 46082814
5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylthiophene-2-carboxamide
CID 86892170
N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 46083104
5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
CID 119825454
5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
4-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]-methylamino]butanoic acid
CID 119173095
3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]-ethylamino]propanoic acid
CID 119191114

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenoxyphenyl)-N,N-dipropylthiophene-2-carboxamide?
The IUPAC name of 5-(4-phenoxyphenyl)-N,N-dipropylthiophene-2-carboxamide (CID 46082678) is 5-(4-phenoxyphenyl)-N,N-dipropylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-phenoxyphenyl)-N,N-dipropylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-phenoxyphenyl)-N,N-dipropylthiophene-2-carboxamide is CCCN(CCC)C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1.
What is the InChIKey of 5-(4-phenoxyphenyl)-N,N-dipropylthiophene-2-carboxamide?
The InChIKey is GUOXUQKYDLRXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2S/c1-3-16-24(17-4-2)23(25)22-15-14-21(27-22)18-10-12-20(13-11-18)26-19-8-6-5-7-9-19/h5-15H,3-4,16-17H2,1-2H3.
What are the key properties of 5-(4-phenoxyphenyl)-N,N-dipropylthiophene-2-carboxamide?
5-(4-phenoxyphenyl)-N,N-dipropylthiophene-2-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenoxyphenyl)-N,N-dipropylthiophene-2-carboxamide is sourced from PubChem (CID 46082678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).