5-benzyl-2-[[3-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide

C26H20Cl2N2O3S — CID 163405653

IUPAC5-benzyl-2-[[3-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C26H20Cl2N2O3S/c27-19-9-10-23(22(28)13-19)33-15-17-7-4-8-18(11-17)25(32)30-26-21(24(29)31)14-20(34-26)12-16-5-2-1-3-6-16/h1-11,13-14H,12,15H2,(H2,29,31)(H,30,32)
InChIKeyHOWOGNPRBJCYLY-UHFFFAOYSA-N
MW511.43 g/mol
LogP6.58
Rot. Bonds8

About 5-benzyl-2-[[3-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide

5-benzyl-2-[[3-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide (PubChem CID 163405653) has the molecular formula C26H20Cl2N2O3S and a molecular weight of 511.43 g/mol. Its IUPAC name is 5-benzyl-2-[[3-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-2-[[3-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide
PubChem CID163405653
Molecular FormulaC26H20Cl2N2O3S
Molecular Weight511.43 g/mol
Exact Mass510.06
IUPAC Name5-benzyl-2-[[3-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C26H20Cl2N2O3S/c27-19-9-10-23(22(28)13-19)33-15-17-7-4-8-18(11-17)25(32)30-26-21(24(29)31)14-20(34-26)12-16-5-2-1-3-6-16/h1-11,13-14H,12,15H2,(H2,29,31)(H,30,32)
InChIKeyHOWOGNPRBJCYLY-UHFFFAOYSA-N
XLogP6.58
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.43
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3392099
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19287053
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
CID 155154021
2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115
3-[(2-chloro-4-nitrophenoxy)methyl]-N-phenylbenzamide
CID 52688047
3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 69070014
3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399869
3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284551
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19401112
3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19415058
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 16550286
3-[(2-carbamoylphenoxy)methyl]benzoic acid
CID 24691110

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[[3-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-benzyl-2-[[3-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide (CID 163405653) is 5-benzyl-2-[[3-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-benzyl-2-[[3-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-benzyl-2-[[3-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide is NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 5-benzyl-2-[[3-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide?
The InChIKey is HOWOGNPRBJCYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N2O3S/c27-19-9-10-23(22(28)13-19)33-15-17-7-4-8-18(11-17)25(32)30-26-21(24(29)31)14-20(34-26)12-16-5-2-1-3-6-16/h1-11,13-14H,12,15H2,(H2,29,31)(H,30,32).
What are the key properties of 5-benzyl-2-[[3-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide?
5-benzyl-2-[[3-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide has a molecular weight of 511.43 g/mol, XLogP of 6.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[[3-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 163405653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).