4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide

C13H12BrNOS2 — CID 72717903

IUPAC4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1cc(Br)cs1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H12BrNOS2/c14-10-5-12(18-8-10)13(16)15(11-1-2-11)6-9-3-4-17-7-9/h3-5,7-8,11H,1-2,6H2
InChIKeyNZXHTNLYAQMNOC-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.38
Rot. Bonds4

About 4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide

4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 72717903) has the molecular formula C13H12BrNOS2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
PubChem CID72717903
Molecular FormulaC13H12BrNOS2
Molecular Weight342.28 g/mol
Exact Mass340.95
IUPAC Name4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
SMILESO=C(c1cc(Br)cs1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H12BrNOS2/c14-10-5-12(18-8-10)13(16)15(11-1-2-11)6-9-3-4-17-7-9/h3-5,7-8,11H,1-2,6H2
InChIKeyNZXHTNLYAQMNOC-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-Bromo-2-thienyl)carbonyl]pyrrolidine
CID 1246561
N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
CID 25854010
4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 1245463
4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 4841302
3-bromo-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 7995527
3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 49716248
N-cyclopropyl-2-(thiophen-2-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 51055386
N-cyclopropyl-N-(2-(thiophen-2-yl)ethyl)thiophene-3-carboxamide
CID 71781393
4-Bromo-N-[2-(thiophen-3-YL)ethyl]thiophene-2-carboxamide
CID 71806700
(4-Bromothiophen-2-yl)(4-(thiophen-3-yl)piperidin-1-yl)methanone
CID 71807072
4-bromo-N-cyclopropyl-N-[2-(thiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 72717919
4-bromo-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
CID 73167960

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide (CID 72717903) is 4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide is O=C(c1cc(Br)cs1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is NZXHTNLYAQMNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS2/c14-10-5-12(18-8-10)13(16)15(11-1-2-11)6-9-3-4-17-7-9/h3-5,7-8,11H,1-2,6H2.
What are the key properties of 4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 342.28 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 72717903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).