5-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide

C20H15Cl2N3O3S — CID 138490360

IUPAC5-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc(NC(=O)c2cc(Cl)cc(Cl)c2)c1C(N)=O
InChIInChI=1S/C20H15Cl2N3O3S/c1-10-15(17(23)26)20(25-18(27)11-7-12(21)9-13(22)8-11)29-16(10)19(28)24-14-5-3-2-4-6-14/h2-9H,1H3,(H2,23,26)(H,24,28)(H,25,27)
InChIKeyBMDDTLHJYNAJDF-UHFFFAOYSA-N
MW448.33 g/mol
LogP4.97
Rot. Bonds5

About 5-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide

5-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide (PubChem CID 138490360) has the molecular formula C20H15Cl2N3O3S and a molecular weight of 448.33 g/mol. Its IUPAC name is 5-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide
PubChem CID138490360
Molecular FormulaC20H15Cl2N3O3S
Molecular Weight448.33 g/mol
Exact Mass447.02
IUPAC Name5-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc(NC(=O)c2cc(Cl)cc(Cl)c2)c1C(N)=O
InChIInChI=1S/C20H15Cl2N3O3S/c1-10-15(17(23)26)20(25-18(27)11-7-12(21)9-13(22)8-11)29-16(10)19(28)24-14-5-3-2-4-6-14/h2-9H,1H3,(H2,23,26)(H,24,28)(H,25,27)
InChIKeyBMDDTLHJYNAJDF-UHFFFAOYSA-N
XLogP4.97
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.33
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide (CID 138490360) is 5-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide is Cc1c(C(=O)Nc2ccccc2)sc(NC(=O)c2cc(Cl)cc(Cl)c2)c1C(N)=O.
What is the InChIKey of 5-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
The InChIKey is BMDDTLHJYNAJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O3S/c1-10-15(17(23)26)20(25-18(27)11-7-12(21)9-13(22)8-11)29-16(10)19(28)24-14-5-3-2-4-6-14/h2-9H,1H3,(H2,23,26)(H,24,28)(H,25,27).
What are the key properties of 5-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
5-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide has a molecular weight of 448.33 g/mol, XLogP of 4.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 138490360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).