4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide

C15H15BrN2OS — CID 115379931

IUPAC4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(NCc2sccc2Br)cc1
InChIInChI=1S/C15H15BrN2OS/c16-13-7-8-20-14(13)9-17-11-3-1-10(2-4-11)15(19)18-12-5-6-12/h1-4,7-8,12,17H,5-6,9H2,(H,18,19)
InChIKeyBZVQCNUUABJJMY-UHFFFAOYSA-N
MW351.27 g/mol
LogP4.01
Rot. Bonds5

About 4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide

4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide (PubChem CID 115379931) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide
PubChem CID115379931
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(NCc2sccc2Br)cc1
InChIInChI=1S/C15H15BrN2OS/c16-13-7-8-20-14(13)9-17-11-3-1-10(2-4-11)15(19)18-12-5-6-12/h1-4,7-8,12,17H,5-6,9H2,(H,18,19)
InChIKeyBZVQCNUUABJJMY-UHFFFAOYSA-N
XLogP4.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide?
The IUPAC name of 4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide (CID 115379931) is 4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(NCc2sccc2Br)cc1.
What is the InChIKey of 4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide?
The InChIKey is BZVQCNUUABJJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c16-13-7-8-20-14(13)9-17-11-3-1-10(2-4-11)15(19)18-12-5-6-12/h1-4,7-8,12,17H,5-6,9H2,(H,18,19).
What are the key properties of 4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide?
4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide has a molecular weight of 351.27 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 115379931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).