2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide

C20H17Cl2NO2S — CID 55694329

IUPAC2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
SMILESO=C(NCc1ccc(COCc2ccccc2)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C20H17Cl2NO2S/c21-18-10-17(19(22)26-18)20(24)23-11-14-6-8-16(9-7-14)13-25-12-15-4-2-1-3-5-15/h1-10H,11-13H2,(H,23,24)
InChIKeyNVWIUKCVRHQJGU-UHFFFAOYSA-N
MW406.33 g/mol
LogP5.70
Rot. Bonds7

About 2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide

2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide (PubChem CID 55694329) has the molecular formula C20H17Cl2NO2S and a molecular weight of 406.33 g/mol. Its IUPAC name is 2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
PubChem CID55694329
Molecular FormulaC20H17Cl2NO2S
Molecular Weight406.33 g/mol
Exact Mass405.04
IUPAC Name2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
SMILESO=C(NCc1ccc(COCc2ccccc2)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C20H17Cl2NO2S/c21-18-10-17(19(22)26-18)20(24)23-11-14-6-8-16(9-7-14)13-25-12-15-4-2-1-3-5-15/h1-10H,11-13H2,(H,23,24)
InChIKeyNVWIUKCVRHQJGU-UHFFFAOYSA-N
XLogP5.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.33
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[[2-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55694446
2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide
CID 41450667
2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide
CID 17422374
2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide
CID 111102459
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 42044485
2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 103604584
6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 46456887
N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 60553572
2-(3,4-dimethoxyphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464992
2,5-dichloro-N-(4-methyl-2-phenylmethoxyphenyl)thiophene-3-carboxamide
CID 55888940
2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide
CID 51251317

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide (CID 55694329) is 2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide is O=C(NCc1ccc(COCc2ccccc2)cc1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide?
The InChIKey is NVWIUKCVRHQJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2S/c21-18-10-17(19(22)26-18)20(24)23-11-14-6-8-16(9-7-14)13-25-12-15-4-2-1-3-5-15/h1-10H,11-13H2,(H,23,24).
What are the key properties of 2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide?
2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide has a molecular weight of 406.33 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 55694329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).