5-bromo-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]thiophene-3-carboxamide

C15H12BrCl2NOS — CID 63524947

IUPAC5-bromo-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]thiophene-3-carboxamide
SMILESO=C(c1csc(Br)c1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C15H12BrCl2NOS/c16-14-6-10(8-21-14)15(20)19(11-2-3-11)7-9-1-4-12(17)13(18)5-9/h1,4-6,8,11H,2-3,7H2
InChIKeyOIEZXCMLOQHZPK-UHFFFAOYSA-N
MW405.14 g/mol
LogP5.62
Rot. Bonds4

About 5-bromo-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]thiophene-3-carboxamide

5-bromo-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]thiophene-3-carboxamide (PubChem CID 63524947) has the molecular formula C15H12BrCl2NOS and a molecular weight of 405.14 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]thiophene-3-carboxamide
PubChem CID63524947
Molecular FormulaC15H12BrCl2NOS
Molecular Weight405.14 g/mol
Exact Mass402.92
IUPAC Name5-bromo-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]thiophene-3-carboxamide
SMILESO=C(c1csc(Br)c1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C15H12BrCl2NOS/c16-14-6-10(8-21-14)15(20)19(11-2-3-11)7-9-1-4-12(17)13(18)5-9/h1,4-6,8,11H,2-3,7H2
InChIKeyOIEZXCMLOQHZPK-UHFFFAOYSA-N
XLogP5.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.14
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]thiophene-3-carboxamide (CID 63524947) is 5-bromo-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]thiophene-3-carboxamide is O=C(c1csc(Br)c1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]thiophene-3-carboxamide?
The InChIKey is OIEZXCMLOQHZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NOS/c16-14-6-10(8-21-14)15(20)19(11-2-3-11)7-9-1-4-12(17)13(18)5-9/h1,4-6,8,11H,2-3,7H2.
What are the key properties of 5-bromo-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]thiophene-3-carboxamide?
5-bromo-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]thiophene-3-carboxamide has a molecular weight of 405.14 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 63524947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).