4-bromo-N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide

C14H14BrNOS2 — CID 72717919

IUPAC4-bromo-N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESO=C(c1cc(Br)cs1)N(CCc1cccs1)C1CC1
InChIInChI=1S/C14H14BrNOS2/c15-10-8-13(19-9-10)14(17)16(11-3-4-11)6-5-12-2-1-7-18-12/h1-2,7-9,11H,3-6H2
InChIKeyFSXQHYOHKIDMOK-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.42
Rot. Bonds5

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

4-bromo-N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide (PubChem CID 72717919) has the molecular formula C14H14BrNOS2 and a molecular weight of 356.31 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
PubChem CID72717919
Molecular FormulaC14H14BrNOS2
Molecular Weight356.31 g/mol
Exact Mass354.97
IUPAC Name4-bromo-N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESO=C(c1cc(Br)cs1)N(CCc1cccs1)C1CC1
InChIInChI=1S/C14H14BrNOS2/c15-10-8-13(19-9-10)14(17)16(11-3-4-11)6-5-12-2-1-7-18-12/h1-2,7-9,11H,3-6H2
InChIKeyFSXQHYOHKIDMOK-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-5-thiophen-2-yl-2-thiophenecarboxamide
CID 2740027
1-[(5-Bromo-2-thienyl)carbonyl]pyrrolidine
CID 1246561
1-(Thiophene-2-carbonyl)pyrrolidine
CID 825289
n-(1-(Thiophen-2-yl)propan-2-yl)thiophene-2-carboxamide
CID 5105834
(5-Bromothiophen-2-yl)(2-methylpiperidin-1-yl)methanone
CID 42905215
(4,5-Dibromothiophen-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 47097563
4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 1245463
4-bromo-N-(prop-2-en-1-yl)thiophene-2-carboxamide
CID 2225431
N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 2813038
4,5-dibromo-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 4841302
3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 49716248
N-cyclopropyl-N-(2-(thiophen-2-yl)ethyl)thiophene-3-carboxamide
CID 71781393

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide (CID 72717919) is 4-bromo-N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide is O=C(c1cc(Br)cs1)N(CCc1cccs1)C1CC1.
What is the InChIKey of 4-bromo-N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is FSXQHYOHKIDMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS2/c15-10-8-13(19-9-10)14(17)16(11-3-4-11)6-5-12-2-1-7-18-12/h1-2,7-9,11H,3-6H2.
What are the key properties of 4-bromo-N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
4-bromo-N-cyclopropyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 356.31 g/mol, XLogP of 4.42, 5 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-(2-thiophen-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 72717919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).