5-[3,4-bis(phenylmethoxy)phenyl]-N-cyclopropylthiophene-2-carboxamide

C28H25NO3S — CID 25131160

IUPAC5-[3,4-bis(phenylmethoxy)phenyl]-N-cyclopropylthiophene-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)s1
InChIInChI=1S/C28H25NO3S/c30-28(29-23-12-13-23)27-16-15-26(33-27)22-11-14-24(31-18-20-7-3-1-4-8-20)25(17-22)32-19-21-9-5-2-6-10-21/h1-11,14-17,23H,12-13,18-19H2,(H,29,30)
InChIKeySHEPJOOJKBHISF-UHFFFAOYSA-N
MW455.58 g/mol
LogP6.47
Rot. Bonds9

About 5-[3,4-bis(phenylmethoxy)phenyl]-N-cyclopropylthiophene-2-carboxamide

5-[3,4-bis(phenylmethoxy)phenyl]-N-cyclopropylthiophene-2-carboxamide (PubChem CID 25131160) has the molecular formula C28H25NO3S and a molecular weight of 455.58 g/mol. Its IUPAC name is 5-[3,4-bis(phenylmethoxy)phenyl]-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[3,4-bis(phenylmethoxy)phenyl]-N-cyclopropylthiophene-2-carboxamide
PubChem CID25131160
Molecular FormulaC28H25NO3S
Molecular Weight455.58 g/mol
Exact Mass455.16
IUPAC Name5-[3,4-bis(phenylmethoxy)phenyl]-N-cyclopropylthiophene-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)s1
InChIInChI=1S/C28H25NO3S/c30-28(29-23-12-13-23)27-16-15-26(33-27)22-11-14-24(31-18-20-7-3-1-4-8-20)25(17-22)32-19-21-9-5-2-6-10-21/h1-11,14-17,23H,12-13,18-19H2,(H,29,30)
InChIKeySHEPJOOJKBHISF-UHFFFAOYSA-N
XLogP6.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluoro-4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 10203400
N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117081019
N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117090387
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(3-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 20815167
2-[5-(3-hydroxy-4-phenylmethoxyphenyl)thiophene-2-carbonyl]oxyacetic acid
CID 91101504
N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 117079965
4-amino-N-cyclopentyl-2-phenylmethoxybenzamide
CID 146035949
(E)-3-[3,4-bis(phenylmethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide
CID 35746509
2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide
CID 162701297
N-cyclopentyl-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486863
N-(1-benzylpiperidin-4-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 42227002
N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119628

Frequently Asked Questions

What is the IUPAC name of 5-[3,4-bis(phenylmethoxy)phenyl]-N-cyclopropylthiophene-2-carboxamide?
The IUPAC name of 5-[3,4-bis(phenylmethoxy)phenyl]-N-cyclopropylthiophene-2-carboxamide (CID 25131160) is 5-[3,4-bis(phenylmethoxy)phenyl]-N-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for 5-[3,4-bis(phenylmethoxy)phenyl]-N-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for 5-[3,4-bis(phenylmethoxy)phenyl]-N-cyclopropylthiophene-2-carboxamide is O=C(NC1CC1)c1ccc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)s1.
What is the InChIKey of 5-[3,4-bis(phenylmethoxy)phenyl]-N-cyclopropylthiophene-2-carboxamide?
The InChIKey is SHEPJOOJKBHISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO3S/c30-28(29-23-12-13-23)27-16-15-26(33-27)22-11-14-24(31-18-20-7-3-1-4-8-20)25(17-22)32-19-21-9-5-2-6-10-21/h1-11,14-17,23H,12-13,18-19H2,(H,29,30).
What are the key properties of 5-[3,4-bis(phenylmethoxy)phenyl]-N-cyclopropylthiophene-2-carboxamide?
5-[3,4-bis(phenylmethoxy)phenyl]-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 6.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,4-bis(phenylmethoxy)phenyl]-N-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 25131160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).